ChemDB: Chemical Search
Download
Chemical ID: 4116666
Chemical ID:
4116666
Name [?]:
2,4,5,6-tetrafluorobenzene-1,3-diamine
SMILES [?]:
c1(c(c(c(c(c1F)F)F)N)F)N
InChi [?]:
InChI=1/C6H4F4N2/c7-1-2(8)5(11)4(10)6(12)3(1)9/h11-12H2
InChi Info:
AuxInfo=1/0/N:5,4,6,2,3,1,8,9,7,11,10,12/E:(2,3)(5,6)(8,9)(11,12)/rA:12nCCCCCCFFFNFN/rB:s1;d2;s3;d4;d1s5;s6;s5;s4;s3;s2;s1;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H4F4N2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.16451 |
Area: | 281.429 |
Solvation: | -3.87121 |
Coulombic: | -46.0171 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 180.103 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 2 |
XLogP: | 1.03 |
LogP (Chemaxon): | 1.04 |
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 |
---|