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Chemical ID: 4115760
Chemical ID:
4115760
Name [?]:
3,3,4,5,5,5-hexafluoropentan-2-ol
SMILES [?]:
CC(C(C(C(F)(F)F)F)(F)F)O
InChi [?]:
InChI=1/C5H6F6O/c1-2(12)4(7,8)3(6)5(9,10)11/h2-3,12H,1H3
InChi Info:
AuxInfo=1/0/N:1,2,4,3,5,9,10,11,6,7,8,12/E:(7,8)(9,10,11)/rA:12cCCCCCFFFFFFO/rB:s1;s2;s3;s4;s5;s5;s5;s4;s3;s3;s2;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C5H6F6O |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 2.2825 |
Area: | 278.37 |
Solvation: | -4.67676 |
Coulombic: | -47.5454 |
Bond Count [?]
All: | 11 |
Single: | 11 |
Double: | 0 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 196.091 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.22 |
LogP (Chemaxon): | 2.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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