2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetic acid

C10H11ClFNO2 — CID 39248043

IUPAC2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)Cc1c(F)cccc1Cl
InChIInChI=1S/C10H11ClFNO2/c1-13(6-10(14)15)5-7-8(11)3-2-4-9(7)12/h2-4H,5-6H2,1H3,(H,14,15)
InChIKeyZPEMFFGEWPDKRO-UHFFFAOYSA-N
MW231.65 g/mol
LogP2.00
Rot. Bonds4

About 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetic acid

2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetic acid (PubChem CID 39248043) has the molecular formula C10H11ClFNO2 and a molecular weight of 231.65 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetic acid
PubChem CID39248043
Molecular FormulaC10H11ClFNO2
Molecular Weight231.65 g/mol
Exact Mass231.05
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)Cc1c(F)cccc1Cl
InChIInChI=1S/C10H11ClFNO2/c1-13(6-10(14)15)5-7-8(11)3-2-4-9(7)12/h2-4H,5-6H2,1H3,(H,14,15)
InChIKeyZPEMFFGEWPDKRO-UHFFFAOYSA-N
XLogP2.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.65
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-{[(4-Chlorophenyl)methyl]amino}acetic acid hydrochloride
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CID 44305460
2-[(2-Chloro-4-fluorophenyl)methyl-methylamino]acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetic acid?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetic acid (CID 39248043) is 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetic acid?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetic acid is CN(CC(=O)O)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetic acid?
The InChIKey is ZPEMFFGEWPDKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO2/c1-13(6-10(14)15)5-7-8(11)3-2-4-9(7)12/h2-4H,5-6H2,1H3,(H,14,15).
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetic acid?
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetic acid has a molecular weight of 231.65 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetic acid is sourced from PubChem (CID 39248043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).