ChemDB: Chemical Search
Download
Chemical ID: 4118013
Chemical ID:
4118013
Name [?]:
1,1,2,2,3,3,3-heptafluoro-N,N-bis(1,1,2,2,3,3,3-heptafluoropropyl)propan-1-amine
SMILES [?]:
C(C(N(C(C(C(F)(F)F)(F)F)(F)F)C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F
InChi [?]:
InChI=1/C9F21N/c10-1(11,4(16,17)18)7(25,26)31(8(27,28)2(12,13)5(19,20)21)9(29,30)3(14,15)6(22,23)24
InChi Info:
AuxInfo=1/0/N:1,5,15,26,6,16,2,4,14,30,31,10,11,20,21,27,28,29,7,8,9,17,18,19,24,25,12,13,22,23,3/E:(1,2,3)(4,5,6)(7,8,9)(10,11,12,13,14,15)(16,17,18,19,20,21,22,23,24)(25,26,27,28,29,30)/rA:31nCCNCCCFFFFFFFCCCFFFFFFFFFCFFFFF/rB:s1;s2;s3;s4;s5;s6;s6;s6;s5;s5;s4;s4;s3;s14;s15;s16;s16;s16;s15;s15;s14;s14;s2;s2;s1;s26;s26;s26;s1;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9F21N |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.31541 |
Area: | 426.451 |
Solvation: | -5.34587 |
Coulombic: | -123.412 |
Bond Count [?]
All: | 30 |
Single: | 30 |
Double: | 0 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 521.07 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 7.05 |
LogP (Chemaxon): | 8.44 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|