3-(5-chloro-2-fluorophenyl)-2-hydroxypropanoic acid

C9H8ClFO3 — CID 83441782

IUPAC3-(5-chloro-2-fluorophenyl)-2-hydroxypropanoic acid
SMILESO=C(O)C(O)Cc1cc(Cl)ccc1F
InChIInChI=1S/C9H8ClFO3/c10-6-1-2-7(11)5(3-6)4-8(12)9(13)14/h1-3,8,12H,4H2,(H,13,14)
InChIKeyDAQHIRWKLJHVBT-UHFFFAOYSA-N
MW218.61 g/mol
LogP1.47
Rot. Bonds3

About 3-(5-chloro-2-fluorophenyl)-2-hydroxypropanoic acid

3-(5-chloro-2-fluorophenyl)-2-hydroxypropanoic acid (PubChem CID 83441782) has the molecular formula C9H8ClFO3 and a molecular weight of 218.61 g/mol. Its IUPAC name is 3-(5-chloro-2-fluorophenyl)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-(5-chloro-2-fluorophenyl)-2-hydroxypropanoic acid
PubChem CID83441782
Molecular FormulaC9H8ClFO3
Molecular Weight218.61 g/mol
Exact Mass218.01
IUPAC Name3-(5-chloro-2-fluorophenyl)-2-hydroxypropanoic acid
SMILESO=C(O)C(O)Cc1cc(Cl)ccc1F
InChIInChI=1S/C9H8ClFO3/c10-6-1-2-7(11)5(3-6)4-8(12)9(13)14/h1-3,8,12H,4H2,(H,13,14)
InChIKeyDAQHIRWKLJHVBT-UHFFFAOYSA-N
XLogP1.47
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.61
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-chloro-2-fluorophenyl)-2-methylpropanoic acid
CID 83402731
4-amino-2-[(5-chloro-2-fluorophenyl)methyl]butanoic acid
CID 103052246
3-(5-chloro-2-fluorophenyl)-2-hydroxypropanal
CID 103047677
4-(5-chloro-2-fluorophenyl)-3-methylbutan-2-ol
CID 103049449
3-(4-chloro-2-fluorophenyl)-2-fluoropropanoic acid
CID 131151024
diethyl 2-[(5-chloro-2-fluorophenyl)methyl]propanedioate
CID 15707363
2-[carboxymethyl-[(5-chloro-2-fluorophenyl)methyl]amino]acetic acid
CID 114866921
(2S)-3-(3-chlorophenyl)-2-hydroxypropanoic acid
CID 39240389
ethyl 2-bromo-3-(5-chloro-2-fluorophenyl)propanoate
CID 83197938
1-(5-chloro-2-fluorophenyl)-4,4-dimethylpentane-2,3-diol
CID 103457308
3-[(5-chloro-2-fluorophenyl)methyl-methylamino]-2-methyl-3-oxopropanoic acid
CID 122066492
2-(5-chloro-2-fluorophenyl)-1-pyridin-4-ylethanol
CID 103047540

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-fluorophenyl)-2-hydroxypropanoic acid?
The IUPAC name of 3-(5-chloro-2-fluorophenyl)-2-hydroxypropanoic acid (CID 83441782) is 3-(5-chloro-2-fluorophenyl)-2-hydroxypropanoic acid.
What is the SMILES notation for 3-(5-chloro-2-fluorophenyl)-2-hydroxypropanoic acid?
The canonical SMILES for 3-(5-chloro-2-fluorophenyl)-2-hydroxypropanoic acid is O=C(O)C(O)Cc1cc(Cl)ccc1F.
What is the InChIKey of 3-(5-chloro-2-fluorophenyl)-2-hydroxypropanoic acid?
The InChIKey is DAQHIRWKLJHVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO3/c10-6-1-2-7(11)5(3-6)4-8(12)9(13)14/h1-3,8,12H,4H2,(H,13,14).
What are the key properties of 3-(5-chloro-2-fluorophenyl)-2-hydroxypropanoic acid?
3-(5-chloro-2-fluorophenyl)-2-hydroxypropanoic acid has a molecular weight of 218.61 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-fluorophenyl)-2-hydroxypropanoic acid is sourced from PubChem (CID 83441782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).