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

C14H10F2O2S — CID 51887995

IUPAC(2R)-2-(2,4-difluorophenyl)sulfanyl-2-phenylacetic acid
SMILESO=C(O)[C@H](Sc1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C14H10F2O2S/c15-10-6-7-12(11(16)8-10)19-13(14(17)18)9-4-2-1-3-5-9/h1-8,13H,(H,17,18)/t13-/m1/s1
InChIKeyDVDAIOQKIUPXRT-CYBMUJFWSA-N
MW280.30 g/mol
LogP3.88
Rot. Bonds4

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

(2R)-2-(2,4-difluorophenyl)sulfanyl-2-phenylacetic acid (PubChem CID 51887995) has the molecular formula C14H10F2O2S and a molecular weight of 280.30 g/mol. Its IUPAC name is (2R)-2-(2,4-difluorophenyl)sulfanyl-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-(2,4-difluorophenyl)sulfanyl-2-phenylacetic acid
PubChem CID51887995
Molecular FormulaC14H10F2O2S
Molecular Weight280.30 g/mol
Exact Mass280.04
IUPAC Name(2R)-2-(2,4-difluorophenyl)sulfanyl-2-phenylacetic acid
SMILESO=C(O)[C@H](Sc1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C14H10F2O2S/c15-10-6-7-12(11(16)8-10)19-13(14(17)18)9-4-2-1-3-5-9/h1-8,13H,(H,17,18)/t13-/m1/s1
InChIKeyDVDAIOQKIUPXRT-CYBMUJFWSA-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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Related Compounds

(2S)-2-(2,4-difluorophenyl)sulfanyl-2-phenylacetic acid
CID 51887993
ethyl 2-(2,4-difluorophenyl)sulfanyl-2-phenylacetate
CID 103603359
2-(2,4-difluorophenyl)sulfanyl-2-phenyl-1-piperazin-1-ylethanone
CID 119402882
2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-piperidin-4-ylacetamide
CID 119389227
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2,4-difluorophenyl)sulfanyl-2-phenylacetamide
CID 119458435
(2R)-2-(2,4-difluorophenyl)sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 9046235
2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119463362
2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-(2-piperidin-3-ylethyl)acetamide
CID 119558315
2-(2-amino-5-chlorophenyl)sulfanyl-2-phenylacetic acid
CID 79528016
2-(2,4-difluorophenyl)sulfanylacetate
CID 7129456
(2S)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 9046479
2-(2-oxalophenyl)sulfanyl-2-phenylacetic acid
CID 16639760

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-difluorophenyl)sulfanyl-2-phenylacetic acid?
The IUPAC name of (2R)-2-(2,4-difluorophenyl)sulfanyl-2-phenylacetic acid (CID 51887995) is (2R)-2-(2,4-difluorophenyl)sulfanyl-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-(2,4-difluorophenyl)sulfanyl-2-phenylacetic acid?
The canonical SMILES for (2R)-2-(2,4-difluorophenyl)sulfanyl-2-phenylacetic acid is O=C(O)[C@H](Sc1ccc(F)cc1F)c1ccccc1.
What is the InChIKey of (2R)-2-(2,4-difluorophenyl)sulfanyl-2-phenylacetic acid?
The InChIKey is DVDAIOQKIUPXRT-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H10F2O2S/c15-10-6-7-12(11(16)8-10)19-13(14(17)18)9-4-2-1-3-5-9/h1-8,13H,(H,17,18)/t13-/m1/s1.
What are the key properties of (2R)-2-(2,4-difluorophenyl)sulfanyl-2-phenylacetic acid?
(2R)-2-(2,4-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 (2R)-2-(2,4-difluorophenyl)sulfanyl-2-phenylacetic acid is sourced from PubChem (CID 51887995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).