(E)-1,1-difluoro-4-phenyl-1-phenylsulfanylbut-3-en-2-ol

C16H14F2OS — CID 11358302

IUPAC(E)-1,1-difluoro-4-phenyl-1-phenylsulfanylbut-3-en-2-ol
SMILESOC(/C=C/c1ccccc1)C(F)(F)Sc1ccccc1
InChIInChI=1S/C16H14F2OS/c17-16(18,20-14-9-5-2-6-10-14)15(19)12-11-13-7-3-1-4-8-13/h1-12,15,19H/b12-11+
InChIKeyXHKZBCUMUJZBGW-VAWYXSNFSA-N
MW292.35 g/mol
LogP4.45
Rot. Bonds5

About (E)-1,1-difluoro-4-phenyl-1-phenylsulfanylbut-3-en-2-ol

(E)-1,1-difluoro-4-phenyl-1-phenylsulfanylbut-3-en-2-ol (PubChem CID 11358302) has the molecular formula C16H14F2OS and a molecular weight of 292.35 g/mol. Its IUPAC name is (E)-1,1-difluoro-4-phenyl-1-phenylsulfanylbut-3-en-2-ol.

Molecular Properties

Compound Name(E)-1,1-difluoro-4-phenyl-1-phenylsulfanylbut-3-en-2-ol
PubChem CID11358302
Molecular FormulaC16H14F2OS
Molecular Weight292.35 g/mol
Exact Mass292.07
IUPAC Name(E)-1,1-difluoro-4-phenyl-1-phenylsulfanylbut-3-en-2-ol
SMILESOC(/C=C/c1ccccc1)C(F)(F)Sc1ccccc1
InChIInChI=1S/C16H14F2OS/c17-16(18,20-14-9-5-2-6-10-14)15(19)12-11-13-7-3-1-4-8-13/h1-12,15,19H/b12-11+
InChIKeyXHKZBCUMUJZBGW-VAWYXSNFSA-N
XLogP4.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E,2S)-1,1,1-tribromo-4-phenylbut-3-en-2-ol
CID 129409004
(E)-1,1-bis(benzenesulfonyl)-1-fluoro-4-phenylbut-3-en-2-ol
CID 54762908
3-phenylprop-2-ene-1,1-diol
CID 54432533
(Z,2R)-4-phenylbut-3-en-2-ol
CID 11457765
(1,1-difluoro-2-phenylbut-3-enyl)sulfanylbenzene
CID 102528016
(1E,6E)-5-hydroxy-4,4-dimethyl-1,7-diphenylhepta-1,6-dien-3-one
CID 153310935
(1E,3R,5S,6E)-1,7-diphenylhepta-1,6-diene-3,5-diol
CID 122402908
(E,2R,3R)-N,N-diethyl-2-fluoro-3-hydroxy-5-phenyl-2-(trifluoromethyl)pent-4-enamide
CID 14594607
tert-butyl (E)-4,4-difluoro-5-hydroxy-3-oxo-7-phenylhept-6-enoate
CID 141254134
(1E,3S,4S)-4-ethyl-4-methyl-1-phenylhexa-1,5-dien-3-ol
CID 100923978
2-hydroxy-3-(2-phenylethenyl)butanedioic acid
CID 67880957
(1E,3R,4R)-4-methyl-1-phenyl-5-phenylsulfanylhexa-1,5-dien-3-ol
CID 101265605

Frequently Asked Questions

What is the IUPAC name of (E)-1,1-difluoro-4-phenyl-1-phenylsulfanylbut-3-en-2-ol?
The IUPAC name of (E)-1,1-difluoro-4-phenyl-1-phenylsulfanylbut-3-en-2-ol (CID 11358302) is (E)-1,1-difluoro-4-phenyl-1-phenylsulfanylbut-3-en-2-ol.
What is the SMILES notation for (E)-1,1-difluoro-4-phenyl-1-phenylsulfanylbut-3-en-2-ol?
The canonical SMILES for (E)-1,1-difluoro-4-phenyl-1-phenylsulfanylbut-3-en-2-ol is OC(/C=C/c1ccccc1)C(F)(F)Sc1ccccc1.
What is the InChIKey of (E)-1,1-difluoro-4-phenyl-1-phenylsulfanylbut-3-en-2-ol?
The InChIKey is XHKZBCUMUJZBGW-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H14F2OS/c17-16(18,20-14-9-5-2-6-10-14)15(19)12-11-13-7-3-1-4-8-13/h1-12,15,19H/b12-11+.
What are the key properties of (E)-1,1-difluoro-4-phenyl-1-phenylsulfanylbut-3-en-2-ol?
(E)-1,1-difluoro-4-phenyl-1-phenylsulfanylbut-3-en-2-ol has a molecular weight of 292.35 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1-difluoro-4-phenyl-1-phenylsulfanylbut-3-en-2-ol is sourced from PubChem (CID 11358302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).