2-[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]propanoic acid

C10H8ClF3O3 — CID 117424985

IUPAC2-[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1cc(C(F)(F)F)cc(Cl)c1O
InChIInChI=1S/C10H8ClF3O3/c1-4(9(16)17)6-2-5(10(12,13)14)3-7(11)8(6)15/h2-4,15H,1H3,(H,16,17)
InChIKeyPMXSWWDZVZGXCE-UHFFFAOYSA-N
MW268.62 g/mol
LogP3.25
Rot. Bonds2

About 2-[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]propanoic acid

2-[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]propanoic acid (PubChem CID 117424985) has the molecular formula C10H8ClF3O3 and a molecular weight of 268.62 g/mol. Its IUPAC name is 2-[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]propanoic acid
PubChem CID117424985
Molecular FormulaC10H8ClF3O3
Molecular Weight268.62 g/mol
Exact Mass268.01
IUPAC Name2-[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1cc(C(F)(F)F)cc(Cl)c1O
InChIInChI=1S/C10H8ClF3O3/c1-4(9(16)17)6-2-5(10(12,13)14)3-7(11)8(6)15/h2-4,15H,1H3,(H,16,17)
InChIKeyPMXSWWDZVZGXCE-UHFFFAOYSA-N
XLogP3.25
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.62
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]-3-methylbutanoic acid
CID 117477877
2-bromo-6-chloro-4-(trifluoromethyl)phenol
CID 84714200
2-(5-tert-butyl-2-hydroxy-3-methylphenyl)propanoic acid;isocyanic acid
CID 174507724
2-chloro-3-[2,6-dichloro-4-(trifluoromethyl)phenyl]propanoic acid
CID 170873830
2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 117458077
1-[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]ethanol
CID 84708311
(2S)-2-[2-chloro-3-(trifluoromethyl)phenyl]propanoic acid
CID 129389983
2-[5-(2-fluoropropan-2-yl)-2-methylphenyl]propanoic acid
CID 117322097
2-(3-chloro-4-hydroxy-5-methylphenyl)propanoic acid
CID 84783600
1,3-dichloro-2-(difluoromethyl)-5-(trifluoromethyl)benzene
CID 171009487
2-[5-chloro-2-methoxy-3-(trifluoromethyl)phenyl]propanoic acid
CID 117454100
2-amino-3-[2-chloro-6-hydroxy-4-(trifluoromethyl)phenyl]propanoic acid
CID 117455861

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]propanoic acid?
The IUPAC name of 2-[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]propanoic acid (CID 117424985) is 2-[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]propanoic acid.
What is the SMILES notation for 2-[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]propanoic acid?
The canonical SMILES for 2-[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]propanoic acid is CC(C(=O)O)c1cc(C(F)(F)F)cc(Cl)c1O.
What is the InChIKey of 2-[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]propanoic acid?
The InChIKey is PMXSWWDZVZGXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3O3/c1-4(9(16)17)6-2-5(10(12,13)14)3-7(11)8(6)15/h2-4,15H,1H3,(H,16,17).
What are the key properties of 2-[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]propanoic acid?
2-[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]propanoic acid has a molecular weight of 268.62 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]propanoic acid is sourced from PubChem (CID 117424985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).