2-[2-chloro-N-methyl-4-(trifluoromethyl)anilino]acetic acid

C10H9ClF3NO2 — CID 69314467

IUPAC2-[2-chloro-N-methyl-4-(trifluoromethyl)anilino]acetic acid
SMILESCN(CC(=O)O)c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H9ClF3NO2/c1-15(5-9(16)17)8-3-2-6(4-7(8)11)10(12,13)14/h2-4H,5H2,1H3,(H,16,17)
InChIKeyLFBKOSPJSYYCSQ-UHFFFAOYSA-N
MW267.63 g/mol
LogP2.88
Rot. Bonds3

About 2-[2-chloro-N-methyl-4-(trifluoromethyl)anilino]acetic acid

2-[2-chloro-N-methyl-4-(trifluoromethyl)anilino]acetic acid (PubChem CID 69314467) has the molecular formula C10H9ClF3NO2 and a molecular weight of 267.63 g/mol. Its IUPAC name is 2-[2-chloro-N-methyl-4-(trifluoromethyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[2-chloro-N-methyl-4-(trifluoromethyl)anilino]acetic acid
PubChem CID69314467
Molecular FormulaC10H9ClF3NO2
Molecular Weight267.63 g/mol
Exact Mass267.03
IUPAC Name2-[2-chloro-N-methyl-4-(trifluoromethyl)anilino]acetic acid
SMILESCN(CC(=O)O)c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H9ClF3NO2/c1-15(5-9(16)17)8-3-2-6(4-7(8)11)10(12,13)14/h2-4H,5H2,1H3,(H,16,17)
InChIKeyLFBKOSPJSYYCSQ-UHFFFAOYSA-N
XLogP2.88
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.63
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-N-methyl-4-(trifluoromethyl)anilino]acetic acid?
The IUPAC name of 2-[2-chloro-N-methyl-4-(trifluoromethyl)anilino]acetic acid (CID 69314467) is 2-[2-chloro-N-methyl-4-(trifluoromethyl)anilino]acetic acid.
What is the SMILES notation for 2-[2-chloro-N-methyl-4-(trifluoromethyl)anilino]acetic acid?
The canonical SMILES for 2-[2-chloro-N-methyl-4-(trifluoromethyl)anilino]acetic acid is CN(CC(=O)O)c1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[2-chloro-N-methyl-4-(trifluoromethyl)anilino]acetic acid?
The InChIKey is LFBKOSPJSYYCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NO2/c1-15(5-9(16)17)8-3-2-6(4-7(8)11)10(12,13)14/h2-4H,5H2,1H3,(H,16,17).
What are the key properties of 2-[2-chloro-N-methyl-4-(trifluoromethyl)anilino]acetic acid?
2-[2-chloro-N-methyl-4-(trifluoromethyl)anilino]acetic acid has a molecular weight of 267.63 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-N-methyl-4-(trifluoromethyl)anilino]acetic acid is sourced from PubChem (CID 69314467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).