methyl 2-amino-2-(4-fluorophenyl)propanoate;hydrochloride

C10H13ClFNO2 — CID 119031831

IUPACmethyl 2-amino-2-(4-fluorophenyl)propanoate;hydrochloride
SMILESCOC(=O)C(C)(N)c1ccc(F)cc1.Cl
InChIInChI=1S/C10H12FNO2.ClH/c1-10(12,9(13)14-2)7-3-5-8(11)6-4-7;/h3-6H,12H2,1-2H3;1H
InChIKeyQEJZWMBVOPBZQV-UHFFFAOYSA-N
MW233.67 g/mol
LogP1.59
Rot. Bonds2

About methyl 2-amino-2-(4-fluorophenyl)propanoate;hydrochloride

methyl 2-amino-2-(4-fluorophenyl)propanoate;hydrochloride (PubChem CID 119031831) has the molecular formula C10H13ClFNO2 and a molecular weight of 233.67 g/mol. Its IUPAC name is methyl 2-amino-2-(4-fluorophenyl)propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-amino-2-(4-fluorophenyl)propanoate;hydrochloride
PubChem CID119031831
Molecular FormulaC10H13ClFNO2
Molecular Weight233.67 g/mol
Exact Mass233.06
IUPAC Namemethyl 2-amino-2-(4-fluorophenyl)propanoate;hydrochloride
SMILESCOC(=O)C(C)(N)c1ccc(F)cc1.Cl
InChIInChI=1S/C10H12FNO2.ClH/c1-10(12,9(13)14-2)7-3-5-8(11)6-4-7;/h3-6H,12H2,1-2H3;1H
InChIKeyQEJZWMBVOPBZQV-UHFFFAOYSA-N
XLogP1.59
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.67
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-(4-fluorophenyl)propanoate;hydrochloride?
The IUPAC name of methyl 2-amino-2-(4-fluorophenyl)propanoate;hydrochloride (CID 119031831) is methyl 2-amino-2-(4-fluorophenyl)propanoate;hydrochloride.
What is the SMILES notation for methyl 2-amino-2-(4-fluorophenyl)propanoate;hydrochloride?
The canonical SMILES for methyl 2-amino-2-(4-fluorophenyl)propanoate;hydrochloride is COC(=O)C(C)(N)c1ccc(F)cc1.Cl.
What is the InChIKey of methyl 2-amino-2-(4-fluorophenyl)propanoate;hydrochloride?
The InChIKey is QEJZWMBVOPBZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2.ClH/c1-10(12,9(13)14-2)7-3-5-8(11)6-4-7;/h3-6H,12H2,1-2H3;1H.
What are the key properties of methyl 2-amino-2-(4-fluorophenyl)propanoate;hydrochloride?
methyl 2-amino-2-(4-fluorophenyl)propanoate;hydrochloride has a molecular weight of 233.67 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-(4-fluorophenyl)propanoate;hydrochloride is sourced from PubChem (CID 119031831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).