2-[(2-chlorophenyl)methylsulfanyl]-2-fluoroacetic acid

C9H8ClFO2S — CID 103288030

IUPAC2-[(2-chlorophenyl)methylsulfanyl]-2-fluoroacetic acid
SMILESO=C(O)C(F)SCc1ccccc1Cl
InChIInChI=1S/C9H8ClFO2S/c10-7-4-2-1-3-6(7)5-14-8(11)9(12)13/h1-4,8H,5H2,(H,12,13)
InChIKeyAQEROGQWFXZHTH-UHFFFAOYSA-N
MW234.68 g/mol
LogP2.95
Rot. Bonds4

About 2-[(2-chlorophenyl)methylsulfanyl]-2-fluoroacetic acid

2-[(2-chlorophenyl)methylsulfanyl]-2-fluoroacetic acid (PubChem CID 103288030) has the molecular formula C9H8ClFO2S and a molecular weight of 234.68 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfanyl]-2-fluoroacetic acid.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfanyl]-2-fluoroacetic acid
PubChem CID103288030
Molecular FormulaC9H8ClFO2S
Molecular Weight234.68 g/mol
Exact Mass233.99
IUPAC Name2-[(2-chlorophenyl)methylsulfanyl]-2-fluoroacetic acid
SMILESO=C(O)C(F)SCc1ccccc1Cl
InChIInChI=1S/C9H8ClFO2S/c10-7-4-2-1-3-6(7)5-14-8(11)9(12)13/h1-4,8H,5H2,(H,12,13)
InChIKeyAQEROGQWFXZHTH-UHFFFAOYSA-N
XLogP2.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.68
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(2-chlorophenyl)methylsulfanyl]-2-fluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-chlorophenyl)methylsulfanyl]-2-cyclopropylacetic acid
CID 103288004
2-[(2-chlorophenyl)methylsulfanyl]hexanoic acid
CID 103287989
2-[(2-chlorophenyl)methoxy]-2-fluoroacetic acid
CID 79356366
methyl 2-[(2-chlorophenyl)methylsulfanyl]propanoate
CID 78842701
S-[(2-chlorophenyl)methyl] carbamothioate
CID 174461551
methyl 3-[(2-chlorophenyl)methylsulfanyl]-2-methylbutanoate
CID 103287985
2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methylphenyl)propan-1-one
CID 103289074
(2R)-2-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropylpropanamide
CID 95579036
(2R)-3-(2-chlorophenyl)-2-methylpropanoic acid
CID 40999440
2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 958774
3-chloro-4-[(2-chlorophenyl)methylsulfanyl]benzoic acid
CID 103290020
2-[(2-chlorophenyl)methylsulfanyl]-2-methylpropanoic acid
CID 79015641

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-2-fluoroacetic acid?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-2-fluoroacetic acid (CID 103288030) is 2-[(2-chlorophenyl)methylsulfanyl]-2-fluoroacetic acid.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfanyl]-2-fluoroacetic acid?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfanyl]-2-fluoroacetic acid is O=C(O)C(F)SCc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfanyl]-2-fluoroacetic acid?
The InChIKey is AQEROGQWFXZHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO2S/c10-7-4-2-1-3-6(7)5-14-8(11)9(12)13/h1-4,8H,5H2,(H,12,13).
What are the key properties of 2-[(2-chlorophenyl)methylsulfanyl]-2-fluoroacetic acid?
2-[(2-chlorophenyl)methylsulfanyl]-2-fluoroacetic acid has a molecular weight of 234.68 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfanyl]-2-fluoroacetic acid is sourced from PubChem (CID 103288030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).