2-(4-chlorophenyl)-3,3,3-trifluoro-2-methoxypropanoic acid

C10H8ClF3O3 — CID 84738628

IUPAC2-(4-chlorophenyl)-3,3,3-trifluoro-2-methoxypropanoic acid
SMILESCOC(C(=O)O)(c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C10H8ClF3O3/c1-17-9(8(15)16,10(12,13)14)6-2-4-7(11)5-3-6/h2-5H,1H3,(H,15,16)
InChIKeyAHXIKLVQKIJLIG-UHFFFAOYSA-N
MW268.62 g/mol
LogP2.83
Rot. Bonds3

About 2-(4-chlorophenyl)-3,3,3-trifluoro-2-methoxypropanoic acid

2-(4-chlorophenyl)-3,3,3-trifluoro-2-methoxypropanoic acid (PubChem CID 84738628) has the molecular formula C10H8ClF3O3 and a molecular weight of 268.62 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3,3,3-trifluoro-2-methoxypropanoic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3,3,3-trifluoro-2-methoxypropanoic acid
PubChem CID84738628
Molecular FormulaC10H8ClF3O3
Molecular Weight268.62 g/mol
Exact Mass268.01
IUPAC Name2-(4-chlorophenyl)-3,3,3-trifluoro-2-methoxypropanoic acid
SMILESCOC(C(=O)O)(c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C10H8ClF3O3/c1-17-9(8(15)16,10(12,13)14)6-2-4-7(11)5-3-6/h2-5H,1H3,(H,15,16)
InChIKeyAHXIKLVQKIJLIG-UHFFFAOYSA-N
XLogP2.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.62
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Chlorobenzilate
CID 10522
Chloropropylate
CID 22094
(4-Chloro-phenyl)-prop-2-ynyloxy-acetic acid
CID 23075515
Mosher's acid
CID 86531
2-Methoxy-2-phenylpropanoic acid
CID 344895
(R)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic acid
CID 2723917
alpha-Methoxy-alpha-trifluoromethylphenylacetic acid, (-)-
CID 6992788
3-(4-Chlorophenyl)-2-methoxypropanoic acid
CID 46856386
5-(4-Chlorophenyl)-5-methyl-4-oxofuran-2-carboxylic acid
CID 12840338
2-(3,4-Dichlorophenyl)-2-methoxyacetic acid
CID 4552728
Methyl 2-(4-chlorophenyl)-5-oxooxolane-2-carboxylate
CID 215111
2-(3-Chlorophenyl)-2-methoxyacetic acid
CID 416964

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3,3,3-trifluoro-2-methoxypropanoic acid?
The IUPAC name of 2-(4-chlorophenyl)-3,3,3-trifluoro-2-methoxypropanoic acid (CID 84738628) is 2-(4-chlorophenyl)-3,3,3-trifluoro-2-methoxypropanoic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-3,3,3-trifluoro-2-methoxypropanoic acid?
The canonical SMILES for 2-(4-chlorophenyl)-3,3,3-trifluoro-2-methoxypropanoic acid is COC(C(=O)O)(c1ccc(Cl)cc1)C(F)(F)F.
What is the InChIKey of 2-(4-chlorophenyl)-3,3,3-trifluoro-2-methoxypropanoic acid?
The InChIKey is AHXIKLVQKIJLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3O3/c1-17-9(8(15)16,10(12,13)14)6-2-4-7(11)5-3-6/h2-5H,1H3,(H,15,16).
What are the key properties of 2-(4-chlorophenyl)-3,3,3-trifluoro-2-methoxypropanoic acid?
2-(4-chlorophenyl)-3,3,3-trifluoro-2-methoxypropanoic acid has a molecular weight of 268.62 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3,3,3-trifluoro-2-methoxypropanoic acid is sourced from PubChem (CID 84738628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).