2-fluoro-4-[(2-fluorophenyl)sulfinylmethyl]benzoic acid

C14H10F2O3S — CID 106700602

IUPAC2-fluoro-4-[(2-fluorophenyl)sulfinylmethyl]benzoic acid
SMILESO=C(O)c1ccc(CS(=O)c2ccccc2F)cc1F
InChIInChI=1S/C14H10F2O3S/c15-11-3-1-2-4-13(11)20(19)8-9-5-6-10(14(17)18)12(16)7-9/h1-7H,8H2,(H,17,18)
InChIKeyOYEGTFMWWFAVCE-UHFFFAOYSA-N
MW296.29 g/mol
LogP2.97
Rot. Bonds4

About 2-fluoro-4-[(2-fluorophenyl)sulfinylmethyl]benzoic acid

2-fluoro-4-[(2-fluorophenyl)sulfinylmethyl]benzoic acid (PubChem CID 106700602) has the molecular formula C14H10F2O3S and a molecular weight of 296.29 g/mol. Its IUPAC name is 2-fluoro-4-[(2-fluorophenyl)sulfinylmethyl]benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-[(2-fluorophenyl)sulfinylmethyl]benzoic acid
PubChem CID106700602
Molecular FormulaC14H10F2O3S
Molecular Weight296.29 g/mol
Exact Mass296.03
IUPAC Name2-fluoro-4-[(2-fluorophenyl)sulfinylmethyl]benzoic acid
SMILESO=C(O)c1ccc(CS(=O)c2ccccc2F)cc1F
InChIInChI=1S/C14H10F2O3S/c15-11-3-1-2-4-13(11)20(19)8-9-5-6-10(14(17)18)12(16)7-9/h1-7H,8H2,(H,17,18)
InChIKeyOYEGTFMWWFAVCE-UHFFFAOYSA-N
XLogP2.97
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-[(2-methoxyphenyl)sulfinylmethyl]benzoic acid
CID 106700638
2-[(4-fluorophenyl)methylsulfinyl]benzoic acid
CID 54883693
4-[(3-bromophenyl)sulfinylmethyl]-2-fluorobenzoic acid
CID 106700646
2-fluoro-4-(propan-2-ylsulfinylmethyl)benzoic acid
CID 106700633
2-fluoro-4-[(2-fluoroanilino)methyl]benzoic acid
CID 106699613
4-bromo-2-[(3-bromo-4-fluorophenyl)methylsulfinyl]benzoic acid
CID 115382433
4-bromo-2-[(3-chloro-4-fluorophenyl)methylsulfinyl]benzoic acid
CID 103040691
4-(cyclopentylsulfinylmethyl)-2-fluorobenzoic acid
CID 106700649
5-[(2-fluorophenyl)sulfinylmethyl]-3-methylfuran-2-carboxylic acid
CID 61301768
4-(benzylsulfonylmethyl)-2-fluorobenzoic acid
CID 106698972
2-[(3-methoxyphenyl)methylsulfinyl]benzoic acid
CID 60982128
4-fluoro-3-[(4-iodophenyl)methylsulfinyl]benzoic acid
CID 80558387

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(2-fluorophenyl)sulfinylmethyl]benzoic acid?
The IUPAC name of 2-fluoro-4-[(2-fluorophenyl)sulfinylmethyl]benzoic acid (CID 106700602) is 2-fluoro-4-[(2-fluorophenyl)sulfinylmethyl]benzoic acid.
What is the SMILES notation for 2-fluoro-4-[(2-fluorophenyl)sulfinylmethyl]benzoic acid?
The canonical SMILES for 2-fluoro-4-[(2-fluorophenyl)sulfinylmethyl]benzoic acid is O=C(O)c1ccc(CS(=O)c2ccccc2F)cc1F.
What is the InChIKey of 2-fluoro-4-[(2-fluorophenyl)sulfinylmethyl]benzoic acid?
The InChIKey is OYEGTFMWWFAVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O3S/c15-11-3-1-2-4-13(11)20(19)8-9-5-6-10(14(17)18)12(16)7-9/h1-7H,8H2,(H,17,18).
What are the key properties of 2-fluoro-4-[(2-fluorophenyl)sulfinylmethyl]benzoic acid?
2-fluoro-4-[(2-fluorophenyl)sulfinylmethyl]benzoic acid has a molecular weight of 296.29 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(2-fluorophenyl)sulfinylmethyl]benzoic acid is sourced from PubChem (CID 106700602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).