2-(3,4-difluorophenyl)sulfanyl-2-phenylacetic acid

C14H10F2O2S — CID 43236042

IUPAC2-(3,4-difluorophenyl)sulfanyl-2-phenylacetic acid
SMILESO=C(O)C(Sc1ccc(F)c(F)c1)c1ccccc1
InChIInChI=1S/C14H10F2O2S/c15-11-7-6-10(8-12(11)16)19-13(14(17)18)9-4-2-1-3-5-9/h1-8,13H,(H,17,18)
InChIKeyQZXBDUATFRTRPZ-UHFFFAOYSA-N
MW280.30 g/mol
LogP3.88
Rot. Bonds4

About 2-(3,4-difluorophenyl)sulfanyl-2-phenylacetic acid

2-(3,4-difluorophenyl)sulfanyl-2-phenylacetic acid (PubChem CID 43236042) has the molecular formula C14H10F2O2S and a molecular weight of 280.30 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)sulfanyl-2-phenylacetic acid.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)sulfanyl-2-phenylacetic acid
PubChem CID43236042
Molecular FormulaC14H10F2O2S
Molecular Weight280.30 g/mol
Exact Mass280.04
IUPAC Name2-(3,4-difluorophenyl)sulfanyl-2-phenylacetic acid
SMILESO=C(O)C(Sc1ccc(F)c(F)c1)c1ccccc1
InChIInChI=1S/C14H10F2O2S/c15-11-7-6-10(8-12(11)16)19-13(14(17)18)9-4-2-1-3-5-9/h1-8,13H,(H,17,18)
InChIKeyQZXBDUATFRTRPZ-UHFFFAOYSA-N
XLogP3.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-2-phenylacetic acid?
The IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-2-phenylacetic acid (CID 43236042) is 2-(3,4-difluorophenyl)sulfanyl-2-phenylacetic acid.
What is the SMILES notation for 2-(3,4-difluorophenyl)sulfanyl-2-phenylacetic acid?
The canonical SMILES for 2-(3,4-difluorophenyl)sulfanyl-2-phenylacetic acid is O=C(O)C(Sc1ccc(F)c(F)c1)c1ccccc1.
What is the InChIKey of 2-(3,4-difluorophenyl)sulfanyl-2-phenylacetic acid?
The InChIKey is QZXBDUATFRTRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O2S/c15-11-7-6-10(8-12(11)16)19-13(14(17)18)9-4-2-1-3-5-9/h1-8,13H,(H,17,18).
What are the key properties of 2-(3,4-difluorophenyl)sulfanyl-2-phenylacetic acid?
2-(3,4-difluorophenyl)sulfanyl-2-phenylacetic acid has a molecular weight of 280.30 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)sulfanyl-2-phenylacetic acid is sourced from PubChem (CID 43236042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).