Chemical ID: 7088838

c1cc(c(cc1F)F)SCCO
Chemical ID:
7088838
Name [?]:
2-(2,4-difluorophenyl)sulfanylethanol
SMILES [?]:
c1cc(c(cc1F)F)SCCO
InChi [?]:
InChI=1/C8H8F2OS/c9-6-1-2-8(7(10)5-6)12-4-3-11/h1-2,5,11H,3-4H2
InChi Info:
AuxInfo=1/0/N:1,2,11,10,5,6,4,3,7,8,12,9/rA:12nCCCCCCFFSCCO/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;s10;s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H8F2OS
All Atoms:20
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:4.79068
Area:335.949
Solvation:-3.60806
Coulombic:-24.5987
Bond Count [?]
All:12
Single:9
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:190.211
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:2.31
LogP (Chemaxon):2.29

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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