2-[(2-chloro-6-fluorophenyl)methylamino]propanoic acid;hydrochloride

C10H12Cl2FNO2 — CID 42935506

IUPAC2-[(2-chloro-6-fluorophenyl)methylamino]propanoic acid;hydrochloride
SMILESCC(NCc1c(F)cccc1Cl)C(=O)O.Cl
InChIInChI=1S/C10H11ClFNO2.ClH/c1-6(10(14)15)13-5-7-8(11)3-2-4-9(7)12;/h2-4,6,13H,5H2,1H3,(H,14,15);1H
InChIKeyMTNCZVSCCLBIAZ-UHFFFAOYSA-N
MW268.11 g/mol
LogP2.46
Rot. Bonds4

About 2-[(2-chloro-6-fluorophenyl)methylamino]propanoic acid;hydrochloride

2-[(2-chloro-6-fluorophenyl)methylamino]propanoic acid;hydrochloride (PubChem CID 42935506) has the molecular formula C10H12Cl2FNO2 and a molecular weight of 268.11 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methylamino]propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methylamino]propanoic acid;hydrochloride
PubChem CID42935506
Molecular FormulaC10H12Cl2FNO2
Molecular Weight268.11 g/mol
Exact Mass267.02
IUPAC Name2-[(2-chloro-6-fluorophenyl)methylamino]propanoic acid;hydrochloride
SMILESCC(NCc1c(F)cccc1Cl)C(=O)O.Cl
InChIInChI=1S/C10H11ClFNO2.ClH/c1-6(10(14)15)13-5-7-8(11)3-2-4-9(7)12;/h2-4,6,13H,5H2,1H3,(H,14,15);1H
InChIKeyMTNCZVSCCLBIAZ-UHFFFAOYSA-N
XLogP2.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylamino]propanoic acid;hydrochloride?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylamino]propanoic acid;hydrochloride (CID 42935506) is 2-[(2-chloro-6-fluorophenyl)methylamino]propanoic acid;hydrochloride.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methylamino]propanoic acid;hydrochloride?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methylamino]propanoic acid;hydrochloride is CC(NCc1c(F)cccc1Cl)C(=O)O.Cl.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methylamino]propanoic acid;hydrochloride?
The InChIKey is MTNCZVSCCLBIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO2.ClH/c1-6(10(14)15)13-5-7-8(11)3-2-4-9(7)12;/h2-4,6,13H,5H2,1H3,(H,14,15);1H.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methylamino]propanoic acid;hydrochloride?
2-[(2-chloro-6-fluorophenyl)methylamino]propanoic acid;hydrochloride has a molecular weight of 268.11 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methylamino]propanoic acid;hydrochloride is sourced from PubChem (CID 42935506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).