2-amino-2-(3,4-difluorophenyl)acetic acid;hydrochloride

C8H8ClF2NO2 — CID 24730258

IUPAC2-amino-2-(3,4-difluorophenyl)acetic acid;hydrochloride
SMILESCl.NC(C(=O)O)c1ccc(F)c(F)c1
InChIInChI=1S/C8H7F2NO2.ClH/c9-5-2-1-4(3-6(5)10)7(11)8(12)13;/h1-3,7H,11H2,(H,12,13);1H
InChIKeyZAWAVBIUCQYFHD-UHFFFAOYSA-N
MW223.61 g/mol
LogP1.47
Rot. Bonds2

About 2-amino-2-(3,4-difluorophenyl)acetic acid;hydrochloride

2-amino-2-(3,4-difluorophenyl)acetic acid;hydrochloride (PubChem CID 24730258) has the molecular formula C8H8ClF2NO2 and a molecular weight of 223.61 g/mol. Its IUPAC name is 2-amino-2-(3,4-difluorophenyl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(3,4-difluorophenyl)acetic acid;hydrochloride
PubChem CID24730258
Molecular FormulaC8H8ClF2NO2
Molecular Weight223.61 g/mol
Exact Mass223.02
IUPAC Name2-amino-2-(3,4-difluorophenyl)acetic acid;hydrochloride
SMILESCl.NC(C(=O)O)c1ccc(F)c(F)c1
InChIInChI=1S/C8H7F2NO2.ClH/c9-5-2-1-4(3-6(5)10)7(11)8(12)13;/h1-3,7H,11H2,(H,12,13);1H
InChIKeyZAWAVBIUCQYFHD-UHFFFAOYSA-N
XLogP1.47
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.61
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-bis(3,4-difluorophenyl)acetic acid
CID 20677452
(2S)-2-amino-2-(3-fluoro-4-phenylphenyl)acetic acid
CID 135292614
2-amino-2-(4-cyano-3-fluorophenyl)acetic acid
CID 55297389
(2R)-2-amino-2-(3,5-difluoro-4-hydroxyphenyl)acetic acid
CID 130647675
2-bromo-2-(3,4-difluorophenyl)acetic acid
CID 22626650
(2S)-2-amino-2-(3,4-dihydroxyphenyl)acetic acid
CID 5310986
(1R,2S)-1,2-bis(3,4-difluorophenyl)ethane-1,2-diamine
CID 124654147
(2R)-2-amino-2-(3-chlorophenyl)acetic acid;hydrochloride
CID 91800311
2-amino-2-(3-amino-4,5-difluorophenyl)acetic acid
CID 117115072
(1S)-1-(3,4-difluorophenyl)ethanamine;2-hydroxy-2-phenylacetic acid
CID 174417631
2-amino-2-[4-(4-fluorophenyl)phenyl]acetic acid
CID 77129028
(2R)-2-amino-2-(3-chloro-4-methylphenyl)acetic acid
CID 130742447

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3,4-difluorophenyl)acetic acid;hydrochloride?
The IUPAC name of 2-amino-2-(3,4-difluorophenyl)acetic acid;hydrochloride (CID 24730258) is 2-amino-2-(3,4-difluorophenyl)acetic acid;hydrochloride.
What is the SMILES notation for 2-amino-2-(3,4-difluorophenyl)acetic acid;hydrochloride?
The canonical SMILES for 2-amino-2-(3,4-difluorophenyl)acetic acid;hydrochloride is Cl.NC(C(=O)O)c1ccc(F)c(F)c1.
What is the InChIKey of 2-amino-2-(3,4-difluorophenyl)acetic acid;hydrochloride?
The InChIKey is ZAWAVBIUCQYFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO2.ClH/c9-5-2-1-4(3-6(5)10)7(11)8(12)13;/h1-3,7H,11H2,(H,12,13);1H.
What are the key properties of 2-amino-2-(3,4-difluorophenyl)acetic acid;hydrochloride?
2-amino-2-(3,4-difluorophenyl)acetic acid;hydrochloride has a molecular weight of 223.61 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3,4-difluorophenyl)acetic acid;hydrochloride is sourced from PubChem (CID 24730258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).