[3-fluoro-4-(2-fluorophenyl)sulfanylphenyl]methanol

C13H10F2OS — CID 63814866

IUPAC[3-fluoro-4-(2-fluorophenyl)sulfanylphenyl]methanol
SMILESOCc1ccc(Sc2ccccc2F)c(F)c1
InChIInChI=1S/C13H10F2OS/c14-10-3-1-2-4-12(10)17-13-6-5-9(8-16)7-11(13)15/h1-7,16H,8H2
InChIKeyAFIPRTAFAWSXHC-UHFFFAOYSA-N
MW252.28 g/mol
LogP3.61
Rot. Bonds3

About [3-fluoro-4-(2-fluorophenyl)sulfanylphenyl]methanol

[3-fluoro-4-(2-fluorophenyl)sulfanylphenyl]methanol (PubChem CID 63814866) has the molecular formula C13H10F2OS and a molecular weight of 252.28 g/mol. Its IUPAC name is [3-fluoro-4-(2-fluorophenyl)sulfanylphenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-4-(2-fluorophenyl)sulfanylphenyl]methanol
PubChem CID63814866
Molecular FormulaC13H10F2OS
Molecular Weight252.28 g/mol
Exact Mass252.04
IUPAC Name[3-fluoro-4-(2-fluorophenyl)sulfanylphenyl]methanol
SMILESOCc1ccc(Sc2ccccc2F)c(F)c1
InChIInChI=1S/C13H10F2OS/c14-10-3-1-2-4-12(10)17-13-6-5-9(8-16)7-11(13)15/h1-7,16H,8H2
InChIKeyAFIPRTAFAWSXHC-UHFFFAOYSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(2-fluorophenyl)sulfanylphenyl]methanol?
The IUPAC name of [3-fluoro-4-(2-fluorophenyl)sulfanylphenyl]methanol (CID 63814866) is [3-fluoro-4-(2-fluorophenyl)sulfanylphenyl]methanol.
What is the SMILES notation for [3-fluoro-4-(2-fluorophenyl)sulfanylphenyl]methanol?
The canonical SMILES for [3-fluoro-4-(2-fluorophenyl)sulfanylphenyl]methanol is OCc1ccc(Sc2ccccc2F)c(F)c1.
What is the InChIKey of [3-fluoro-4-(2-fluorophenyl)sulfanylphenyl]methanol?
The InChIKey is AFIPRTAFAWSXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2OS/c14-10-3-1-2-4-12(10)17-13-6-5-9(8-16)7-11(13)15/h1-7,16H,8H2.
What are the key properties of [3-fluoro-4-(2-fluorophenyl)sulfanylphenyl]methanol?
[3-fluoro-4-(2-fluorophenyl)sulfanylphenyl]methanol has a molecular weight of 252.28 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(2-fluorophenyl)sulfanylphenyl]methanol is sourced from PubChem (CID 63814866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).