2-[(5-chloro-2-fluorophenyl)methylsulfinyl]acetic acid

C9H8ClFO3S — CID 103049315

IUPAC2-[(5-chloro-2-fluorophenyl)methylsulfinyl]acetic acid
SMILESO=C(O)CS(=O)Cc1cc(Cl)ccc1F
InChIInChI=1S/C9H8ClFO3S/c10-7-1-2-8(11)6(3-7)4-15(14)5-9(12)13/h1-3H,4-5H2,(H,12,13)
InChIKeyWFHROAWVMYAJDZ-UHFFFAOYSA-N
MW250.68 g/mol
LogP1.81
Rot. Bonds4

About 2-[(5-chloro-2-fluorophenyl)methylsulfinyl]acetic acid

2-[(5-chloro-2-fluorophenyl)methylsulfinyl]acetic acid (PubChem CID 103049315) has the molecular formula C9H8ClFO3S and a molecular weight of 250.68 g/mol. Its IUPAC name is 2-[(5-chloro-2-fluorophenyl)methylsulfinyl]acetic acid.

Molecular Properties

Compound Name2-[(5-chloro-2-fluorophenyl)methylsulfinyl]acetic acid
PubChem CID103049315
Molecular FormulaC9H8ClFO3S
Molecular Weight250.68 g/mol
Exact Mass249.99
IUPAC Name2-[(5-chloro-2-fluorophenyl)methylsulfinyl]acetic acid
SMILESO=C(O)CS(=O)Cc1cc(Cl)ccc1F
InChIInChI=1S/C9H8ClFO3S/c10-7-1-2-8(11)6(3-7)4-15(14)5-9(12)13/h1-3H,4-5H2,(H,12,13)
InChIKeyWFHROAWVMYAJDZ-UHFFFAOYSA-N
XLogP1.81
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.68
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,4-dichlorophenyl)methylsulfinyl]acetic acid
CID 60982109
2-[(5-chloro-2-methoxyphenyl)methylsulfinyl]acetic acid
CID 60983231
2-acetamido-3-[(5-chloro-2-fluorophenyl)methylsulfinyl]propanoic acid
CID 107768743
2-[(4-carbamoyl-2-fluorophenyl)methylsulfinyl]acetic acid
CID 60982846
1-[(5-chloro-2-fluorophenyl)methylsulfinyl]-2-methylpropan-2-amine
CID 103051947
2-[carboxymethyl-[(5-chloro-2-fluorophenyl)methyl]amino]acetic acid
CID 114866921
1-[(5-chloro-2-fluorophenyl)methylsulfinyl]butan-2-amine
CID 103051950
2-(4-chloro-2-fluorophenyl)acetic acid
CID 2757563
2-[(3,5-difluorophenyl)methylsulfinyl]acetic acid
CID 105407392
3-(ethylsulfinylmethyl)-4-fluorobenzoic acid
CID 107453518
5-[(5-chloro-2-fluorophenyl)methylsulfinyl]-2-methylbenzoic acid
CID 103049333
3-(5-chloro-2-fluorophenyl)-2-hydroxypropanoic acid
CID 83441782

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-fluorophenyl)methylsulfinyl]acetic acid?
The IUPAC name of 2-[(5-chloro-2-fluorophenyl)methylsulfinyl]acetic acid (CID 103049315) is 2-[(5-chloro-2-fluorophenyl)methylsulfinyl]acetic acid.
What is the SMILES notation for 2-[(5-chloro-2-fluorophenyl)methylsulfinyl]acetic acid?
The canonical SMILES for 2-[(5-chloro-2-fluorophenyl)methylsulfinyl]acetic acid is O=C(O)CS(=O)Cc1cc(Cl)ccc1F.
What is the InChIKey of 2-[(5-chloro-2-fluorophenyl)methylsulfinyl]acetic acid?
The InChIKey is WFHROAWVMYAJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO3S/c10-7-1-2-8(11)6(3-7)4-15(14)5-9(12)13/h1-3H,4-5H2,(H,12,13).
What are the key properties of 2-[(5-chloro-2-fluorophenyl)methylsulfinyl]acetic acid?
2-[(5-chloro-2-fluorophenyl)methylsulfinyl]acetic acid has a molecular weight of 250.68 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-fluorophenyl)methylsulfinyl]acetic acid is sourced from PubChem (CID 103049315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).