(2-chloro-6-fluorophenyl)methyl 2-aminopropanoate

C10H11ClFNO2 — CID 82115903

IUPAC(2-chloro-6-fluorophenyl)methyl 2-aminopropanoate
SMILESCC(N)C(=O)OCc1c(F)cccc1Cl
InChIInChI=1S/C10H11ClFNO2/c1-6(13)10(14)15-5-7-8(11)3-2-4-9(7)12/h2-4,6H,5,13H2,1H3
InChIKeyIUUKZQCTQSOCPY-UHFFFAOYSA-N
MW231.65 g/mol
LogP1.87
Rot. Bonds3

About (2-chloro-6-fluorophenyl)methyl 2-aminopropanoate

(2-chloro-6-fluorophenyl)methyl 2-aminopropanoate (PubChem CID 82115903) has the molecular formula C10H11ClFNO2 and a molecular weight of 231.65 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)methyl 2-aminopropanoate.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)methyl 2-aminopropanoate
PubChem CID82115903
Molecular FormulaC10H11ClFNO2
Molecular Weight231.65 g/mol
Exact Mass231.05
IUPAC Name(2-chloro-6-fluorophenyl)methyl 2-aminopropanoate
SMILESCC(N)C(=O)OCc1c(F)cccc1Cl
InChIInChI=1S/C10H11ClFNO2/c1-6(13)10(14)15-5-7-8(11)3-2-4-9(7)12/h2-4,6H,5,13H2,1H3
InChIKeyIUUKZQCTQSOCPY-UHFFFAOYSA-N
XLogP1.87
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.65
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-chloro-6-fluorophenyl)methyl 2-aminopropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-chloro-6-fluorophenyl)methyl 2,3,4,5,6-pentafluorobenzoate
CID 91742427
(2-chloro-6-fluorophenyl)methyl (2S)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 7351617
(2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119267721
2-O-[(2-chloro-6-fluorophenyl)methyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56504991
(2-chloro-6-fluorophenyl)methyl 2-amino-6-chlorobenzoate
CID 63661844
dimethyl 2-[(2-chloro-6-fluorophenyl)methyl]propanedioate
CID 94283457
(2-chloro-6-fluorophenyl)methyl cyclohexanecarboxylate
CID 2436177
(1R)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethanamine
CID 63367550
2-[(2-chloro-6-fluorophenyl)methoxy]acetic acid
CID 82158643
(2S)-3-(2-chloro-6-fluorophenyl)-2-methylpropanoic acid
CID 42327266
1-(2-chloro-6-fluorophenyl)-3-hydroxybutan-2-one
CID 103451311
(2-chloro-6-fluorophenyl)methyl 4-(propan-2-ylsulfamoyl)benzoate
CID 55475796

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)methyl 2-aminopropanoate?
The IUPAC name of (2-chloro-6-fluorophenyl)methyl 2-aminopropanoate (CID 82115903) is (2-chloro-6-fluorophenyl)methyl 2-aminopropanoate.
What is the SMILES notation for (2-chloro-6-fluorophenyl)methyl 2-aminopropanoate?
The canonical SMILES for (2-chloro-6-fluorophenyl)methyl 2-aminopropanoate is CC(N)C(=O)OCc1c(F)cccc1Cl.
What is the InChIKey of (2-chloro-6-fluorophenyl)methyl 2-aminopropanoate?
The InChIKey is IUUKZQCTQSOCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO2/c1-6(13)10(14)15-5-7-8(11)3-2-4-9(7)12/h2-4,6H,5,13H2,1H3.
What are the key properties of (2-chloro-6-fluorophenyl)methyl 2-aminopropanoate?
(2-chloro-6-fluorophenyl)methyl 2-aminopropanoate has a molecular weight of 231.65 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)methyl 2-aminopropanoate is sourced from PubChem (CID 82115903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).