Chemical ID: 4115760

CC(C(C(C(F)(F)F)F)(F)F)O
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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