(Z)-3,4-difluoro-4-phenylsulfanylbut-3-en-2-ol

C10H10F2OS — CID 13492169

IUPAC(Z)-3,4-difluoro-4-phenylsulfanylbut-3-en-2-ol
SMILESCC(O)/C(F)=C(\F)Sc1ccccc1
InChIInChI=1S/C10H10F2OS/c1-7(13)9(11)10(12)14-8-5-3-2-4-6-8/h2-7,13H,1H3/b10-9-
InChIKeyUUZSVMBZOKQOEB-KTKRTIGZSA-N
MW216.25 g/mol
LogP3.27
Rot. Bonds3

About (Z)-3,4-difluoro-4-phenylsulfanylbut-3-en-2-ol

(Z)-3,4-difluoro-4-phenylsulfanylbut-3-en-2-ol (PubChem CID 13492169) has the molecular formula C10H10F2OS and a molecular weight of 216.25 g/mol. Its IUPAC name is (Z)-3,4-difluoro-4-phenylsulfanylbut-3-en-2-ol.

Molecular Properties

Compound Name(Z)-3,4-difluoro-4-phenylsulfanylbut-3-en-2-ol
PubChem CID13492169
Molecular FormulaC10H10F2OS
Molecular Weight216.25 g/mol
Exact Mass216.04
IUPAC Name(Z)-3,4-difluoro-4-phenylsulfanylbut-3-en-2-ol
SMILESCC(O)/C(F)=C(\F)Sc1ccccc1
InChIInChI=1S/C10H10F2OS/c1-7(13)9(11)10(12)14-8-5-3-2-4-6-8/h2-7,13H,1H3/b10-9-
InChIKeyUUZSVMBZOKQOEB-KTKRTIGZSA-N
XLogP3.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-difluoroprop-1-en-2-ylsulfanylbenzene
CID 11194757
1,2,2-tris(phenylsulfanyl)ethenylsulfanylbenzene
CID 2755609
S-phenyl (2R,3S)-3-hydroxy-2-methyl-3-phenylpropanethioate
CID 101145099
[(E)-4-fluorohex-3-en-3-yl]sulfanylbenzene
CID 14792832
phenylsulfanylmethanedithioate
CID 57376019
hydroxy-phenyl-di(propan-2-yl)phosphanium
CID 67469476
S-phenyl 2-methyl-3-oxopentanethioate
CID 11481460
hydrogen peroxide;methylsulfanylbenzene
CID 87661079
phenyl N,N-dimethylcarbamodithioate
CID 11063386
1-fluoropropan-2-ylsulfanylbenzene
CID 15563457
(4-methyl-1-phenylsulfanylpentylidene)azanium bromide
CID 11140747
(Z)-3,4-diphenylhex-3-ene-2,5-diol
CID 11346209

Frequently Asked Questions

What is the IUPAC name of (Z)-3,4-difluoro-4-phenylsulfanylbut-3-en-2-ol?
The IUPAC name of (Z)-3,4-difluoro-4-phenylsulfanylbut-3-en-2-ol (CID 13492169) is (Z)-3,4-difluoro-4-phenylsulfanylbut-3-en-2-ol.
What is the SMILES notation for (Z)-3,4-difluoro-4-phenylsulfanylbut-3-en-2-ol?
The canonical SMILES for (Z)-3,4-difluoro-4-phenylsulfanylbut-3-en-2-ol is CC(O)/C(F)=C(\F)Sc1ccccc1.
What is the InChIKey of (Z)-3,4-difluoro-4-phenylsulfanylbut-3-en-2-ol?
The InChIKey is UUZSVMBZOKQOEB-KTKRTIGZSA-N. The full InChI is InChI=1S/C10H10F2OS/c1-7(13)9(11)10(12)14-8-5-3-2-4-6-8/h2-7,13H,1H3/b10-9-.
What are the key properties of (Z)-3,4-difluoro-4-phenylsulfanylbut-3-en-2-ol?
(Z)-3,4-difluoro-4-phenylsulfanylbut-3-en-2-ol has a molecular weight of 216.25 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,4-difluoro-4-phenylsulfanylbut-3-en-2-ol is sourced from PubChem (CID 13492169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).