2,2-difluoro-1-phenyl-3-phenylsulfanylbut-3-en-1-ol

C16H14F2OS — CID 10541666

IUPAC2,2-difluoro-1-phenyl-3-phenylsulfanylbut-3-en-1-ol
SMILESC=C(Sc1ccccc1)C(F)(F)C(O)c1ccccc1
InChIInChI=1S/C16H14F2OS/c1-12(20-14-10-6-3-7-11-14)16(17,18)15(19)13-8-4-2-5-9-13/h2-11,15,19H,1H2
InChIKeyAFDWFHMFRBQCMW-UHFFFAOYSA-N
MW292.35 g/mol
LogP4.66
Rot. Bonds5

About 2,2-difluoro-1-phenyl-3-phenylsulfanylbut-3-en-1-ol

2,2-difluoro-1-phenyl-3-phenylsulfanylbut-3-en-1-ol (PubChem CID 10541666) has the molecular formula C16H14F2OS and a molecular weight of 292.35 g/mol. Its IUPAC name is 2,2-difluoro-1-phenyl-3-phenylsulfanylbut-3-en-1-ol.

Molecular Properties

Compound Name2,2-difluoro-1-phenyl-3-phenylsulfanylbut-3-en-1-ol
PubChem CID10541666
Molecular FormulaC16H14F2OS
Molecular Weight292.35 g/mol
Exact Mass292.07
IUPAC Name2,2-difluoro-1-phenyl-3-phenylsulfanylbut-3-en-1-ol
SMILESC=C(Sc1ccccc1)C(F)(F)C(O)c1ccccc1
InChIInChI=1S/C16H14F2OS/c1-12(20-14-10-6-3-7-11-14)16(17,18)15(19)13-8-4-2-5-9-13/h2-11,15,19H,1H2
InChIKeyAFDWFHMFRBQCMW-UHFFFAOYSA-N
XLogP4.66
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 ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-phenyl-3-phenylsulfanylbut-3-en-1-ol?
The IUPAC name of 2,2-difluoro-1-phenyl-3-phenylsulfanylbut-3-en-1-ol (CID 10541666) is 2,2-difluoro-1-phenyl-3-phenylsulfanylbut-3-en-1-ol.
What is the SMILES notation for 2,2-difluoro-1-phenyl-3-phenylsulfanylbut-3-en-1-ol?
The canonical SMILES for 2,2-difluoro-1-phenyl-3-phenylsulfanylbut-3-en-1-ol is C=C(Sc1ccccc1)C(F)(F)C(O)c1ccccc1.
What is the InChIKey of 2,2-difluoro-1-phenyl-3-phenylsulfanylbut-3-en-1-ol?
The InChIKey is AFDWFHMFRBQCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2OS/c1-12(20-14-10-6-3-7-11-14)16(17,18)15(19)13-8-4-2-5-9-13/h2-11,15,19H,1H2.
What are the key properties of 2,2-difluoro-1-phenyl-3-phenylsulfanylbut-3-en-1-ol?
2,2-difluoro-1-phenyl-3-phenylsulfanylbut-3-en-1-ol has a molecular weight of 292.35 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-phenyl-3-phenylsulfanylbut-3-en-1-ol is sourced from PubChem (CID 10541666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).