2-amino-2-(3-fluorophenyl)-2-phenylacetic acid;hydrochloride

C14H13ClFNO2 — CID 174636753

IUPAC2-amino-2-(3-fluorophenyl)-2-phenylacetic acid;hydrochloride
SMILESCl.NC(C(=O)O)(c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C14H12FNO2.ClH/c15-12-8-4-7-11(9-12)14(16,13(17)18)10-5-2-1-3-6-10;/h1-9H,16H2,(H,17,18);1H
InChIKeyONRHDUBRDKKXIM-UHFFFAOYSA-N
MW281.71 g/mol
LogP2.53
Rot. Bonds3

About 2-amino-2-(3-fluorophenyl)-2-phenylacetic acid;hydrochloride

2-amino-2-(3-fluorophenyl)-2-phenylacetic acid;hydrochloride (PubChem CID 174636753) has the molecular formula C14H13ClFNO2 and a molecular weight of 281.71 g/mol. Its IUPAC name is 2-amino-2-(3-fluorophenyl)-2-phenylacetic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(3-fluorophenyl)-2-phenylacetic acid;hydrochloride
PubChem CID174636753
Molecular FormulaC14H13ClFNO2
Molecular Weight281.71 g/mol
Exact Mass281.06
IUPAC Name2-amino-2-(3-fluorophenyl)-2-phenylacetic acid;hydrochloride
SMILESCl.NC(C(=O)O)(c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C14H12FNO2.ClH/c15-12-8-4-7-11(9-12)14(16,13(17)18)10-5-2-1-3-6-10;/h1-9H,16H2,(H,17,18);1H
InChIKeyONRHDUBRDKKXIM-UHFFFAOYSA-N
XLogP2.53
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.71
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3,3,3-trifluoro-2-(3-fluorophenyl)propanoic acid
CID 95298191
2-(3-fluorophenyl)-2-phenylpropanoic acid
CID 18931684
2-bromo-2-(3-fluorophenyl)propanoic acid
CID 67757500
(2R)-2-amino-2-(3-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 138393513
2-(3-fluorophenyl)-2-phenylbutanedioic acid
CID 152760459
2,3-difluoro-2-(3-fluorophenyl)propanoic acid
CID 175420494
2-anilino-2-(3-fluorophenyl)propanoic acid
CID 60991500
(2S)-2-(3-fluorophenyl)-2-(methylamino)propanoic acid
CID 93279972
2-cyclopropyl-2-(3-fluorophenyl)propanoic acid
CID 83834060
3,3-difluoro-3-(3-fluorophenyl)propanoic acid
CID 84672023
2-(3-fluorophenyl)-2-hydroxypropanamide
CID 62213418
N-[2-(3-fluorophenyl)propan-2-yl]-2-phenylacetamide
CID 12790289

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-fluorophenyl)-2-phenylacetic acid;hydrochloride?
The IUPAC name of 2-amino-2-(3-fluorophenyl)-2-phenylacetic acid;hydrochloride (CID 174636753) is 2-amino-2-(3-fluorophenyl)-2-phenylacetic acid;hydrochloride.
What is the SMILES notation for 2-amino-2-(3-fluorophenyl)-2-phenylacetic acid;hydrochloride?
The canonical SMILES for 2-amino-2-(3-fluorophenyl)-2-phenylacetic acid;hydrochloride is Cl.NC(C(=O)O)(c1ccccc1)c1cccc(F)c1.
What is the InChIKey of 2-amino-2-(3-fluorophenyl)-2-phenylacetic acid;hydrochloride?
The InChIKey is ONRHDUBRDKKXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2.ClH/c15-12-8-4-7-11(9-12)14(16,13(17)18)10-5-2-1-3-6-10;/h1-9H,16H2,(H,17,18);1H.
What are the key properties of 2-amino-2-(3-fluorophenyl)-2-phenylacetic acid;hydrochloride?
2-amino-2-(3-fluorophenyl)-2-phenylacetic acid;hydrochloride has a molecular weight of 281.71 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-fluorophenyl)-2-phenylacetic acid;hydrochloride is sourced from PubChem (CID 174636753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).