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Chemical ID: 5001957
Chemical ID:
5001957
Name [?]:
1,1,1,2,2,3,3-heptafluoroheptan-4-ol
SMILES [?]:
CCCC(C(C(C(F)(F)F)(F)F)(F)F)O
InChi [?]:
InChI=1/C7H9F7O/c1-2-3-4(15)5(8,9)6(10,11)7(12,13)14/h4,15H,2-3H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,5,6,7,13,14,11,12,8,9,10,15/E:(8,9)(10,11)(12,13,14)/rA:15cCCCCCCCFFFFFFFO/rB:s1;s2;s3;s4;s5;s6;s7;s7;s7;s6;s6;s5;s5;s4;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H9F7O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.36001 |
Area: | 334.482 |
Solvation: | -3.00204 |
Coulombic: | -58.449 |
Bond Count [?]
All: | 14 |
Single: | 14 |
Double: | 0 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 242.135 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.39 |
LogP (Chemaxon): | 3.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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