Chemical ID: 7090568

c1cc(sc1)C(C(C(F)(F)F)(F)F)O
Chemical ID:
7090568
Name [?]:
2,2,3,3,3-pentafluoro-1-(2-thienyl)propan-1-ol
SMILES [?]:
c1cc(sc1)C(C(C(F)(F)F)(F)F)O
InChi [?]:
InChI=1/C7H5F5OS/c8-6(9,7(10,11)12)5(13)4-2-1-3-14-4/h1-3,5,13H
InChi Info:
AuxInfo=1/0/N:1,2,5,3,6,7,8,12,13,9,10,11,14,4/E:(8,9)(10,11,12)/rA:14cCCCSCCCCFFFFFO/rB:s1;d2;s3;d1s4;s3;s6;s7;s8;s8;s8;s7;s7;s6;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H5F5OS
All Atoms:19
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:5.38765
Area:327.351
Solvation:-2.79613
Coulombic:-48.3644
Bond Count [?]
All:14
Single:12
Double:2
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:232.172
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:2.68
LogP (Chemaxon):2.81

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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