3-(4-chloro-5-fluoro-2-methylphenyl)propanoic acid

C10H10ClFO2 — CID 84784993

IUPAC3-(4-chloro-5-fluoro-2-methylphenyl)propanoic acid
SMILESCc1cc(Cl)c(F)cc1CCC(=O)O
InChIInChI=1S/C10H10ClFO2/c1-6-4-8(11)9(12)5-7(6)2-3-10(13)14/h4-5H,2-3H2,1H3,(H,13,14)
InChIKeyVYHNJHFXKOMSIK-UHFFFAOYSA-N
MW216.64 g/mol
LogP2.80
Rot. Bonds3

About 3-(4-chloro-5-fluoro-2-methylphenyl)propanoic acid

3-(4-chloro-5-fluoro-2-methylphenyl)propanoic acid (PubChem CID 84784993) has the molecular formula C10H10ClFO2 and a molecular weight of 216.64 g/mol. Its IUPAC name is 3-(4-chloro-5-fluoro-2-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(4-chloro-5-fluoro-2-methylphenyl)propanoic acid
PubChem CID84784993
Molecular FormulaC10H10ClFO2
Molecular Weight216.64 g/mol
Exact Mass216.04
IUPAC Name3-(4-chloro-5-fluoro-2-methylphenyl)propanoic acid
SMILESCc1cc(Cl)c(F)cc1CCC(=O)O
InChIInChI=1S/C10H10ClFO2/c1-6-4-8(11)9(12)5-7(6)2-3-10(13)14/h4-5H,2-3H2,1H3,(H,13,14)
InChIKeyVYHNJHFXKOMSIK-UHFFFAOYSA-N
XLogP2.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.64
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,5-dichloro-4-fluorophenyl)propanoic acid
CID 84699843
3-(2-bromo-5-chloro-4-fluorophenyl)propanoic acid
CID 156859397
5-(2-carboxyethyl)-2-fluoro-4-methylbenzoic acid
CID 117324857
3-(3-chloro-2-fluoro-5-methylphenyl)propanoic acid
CID 84682257
1-chloro-4-(chloromethyl)-2-fluoro-5-methylbenzene
CID 131117181
1-chloro-2-fluoro-4-(fluoromethyl)-5-methylbenzene
CID 130952745
3-(3-chloro-5-fluoro-2,4-dihydroxyphenyl)propanoic acid
CID 84797135
3-[2,3-difluoro-5-(4-fluoro-2,6-dimethylphenyl)phenyl]propanoic acid
CID 159449038
1-(bromomethyl)-4-chloro-5-fluoro-2-methylbenzene
CID 130777933
N-[(4-chloro-5-fluoro-2-methylphenyl)methyl]-N-methylhydroxylamine
CID 84777598
N-[(4-chloro-5-fluoro-2-methylphenyl)methyl]hydroxylamine
CID 84771311
3-[4-[[2-(4-chloro-3-fluorophenyl)cyclopenten-1-yl]methoxy]-5-fluoro-2-methylphenyl]propanoic acid
CID 162702658

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-5-fluoro-2-methylphenyl)propanoic acid?
The IUPAC name of 3-(4-chloro-5-fluoro-2-methylphenyl)propanoic acid (CID 84784993) is 3-(4-chloro-5-fluoro-2-methylphenyl)propanoic acid.
What is the SMILES notation for 3-(4-chloro-5-fluoro-2-methylphenyl)propanoic acid?
The canonical SMILES for 3-(4-chloro-5-fluoro-2-methylphenyl)propanoic acid is Cc1cc(Cl)c(F)cc1CCC(=O)O.
What is the InChIKey of 3-(4-chloro-5-fluoro-2-methylphenyl)propanoic acid?
The InChIKey is VYHNJHFXKOMSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO2/c1-6-4-8(11)9(12)5-7(6)2-3-10(13)14/h4-5H,2-3H2,1H3,(H,13,14).
What are the key properties of 3-(4-chloro-5-fluoro-2-methylphenyl)propanoic acid?
3-(4-chloro-5-fluoro-2-methylphenyl)propanoic acid has a molecular weight of 216.64 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-5-fluoro-2-methylphenyl)propanoic acid is sourced from PubChem (CID 84784993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).