2-amino-2-(4-chloro-3-fluoro-2-methylphenyl)acetic acid

C9H9ClFNO2 — CID 84785718

IUPAC2-amino-2-(4-chloro-3-fluoro-2-methylphenyl)acetic acid
SMILESCc1c(C(N)C(=O)O)ccc(Cl)c1F
InChIInChI=1S/C9H9ClFNO2/c1-4-5(8(12)9(13)14)2-3-6(10)7(4)11/h2-3,8H,12H2,1H3,(H,13,14)
InChIKeyJZTKMCMFHWRBHI-UHFFFAOYSA-N
MW217.63 g/mol
LogP1.87
Rot. Bonds2

About 2-amino-2-(4-chloro-3-fluoro-2-methylphenyl)acetic acid

2-amino-2-(4-chloro-3-fluoro-2-methylphenyl)acetic acid (PubChem CID 84785718) has the molecular formula C9H9ClFNO2 and a molecular weight of 217.63 g/mol. Its IUPAC name is 2-amino-2-(4-chloro-3-fluoro-2-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(4-chloro-3-fluoro-2-methylphenyl)acetic acid
PubChem CID84785718
Molecular FormulaC9H9ClFNO2
Molecular Weight217.63 g/mol
Exact Mass217.03
IUPAC Name2-amino-2-(4-chloro-3-fluoro-2-methylphenyl)acetic acid
SMILESCc1c(C(N)C(=O)O)ccc(Cl)c1F
InChIInChI=1S/C9H9ClFNO2/c1-4-5(8(12)9(13)14)2-3-6(10)7(4)11/h2-3,8H,12H2,1H3,(H,13,14)
InChIKeyJZTKMCMFHWRBHI-UHFFFAOYSA-N
XLogP1.87
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.63
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-(3-chloro-2-fluorophenyl)acetic acid;hydrochloride
CID 175479963
2-amino-2-(3-bromo-4-fluoro-2-methylphenyl)acetic acid
CID 84806894
(2S)-2-amino-2-(2-chloro-4-fluorophenyl)acetic acid
CID 66510702
4-chloro-3-fluoro-2-methylbenzoic acid
CID 15218738
(2S)-2-amino-2-(5-amino-2-chlorophenyl)acetic acid
CID 66510542
2-amino-2-(3-bromo-2,4-dimethylphenyl)acetic acid
CID 84805752
2-amino-2-(3,5-dichloro-2-fluorophenyl)acetic acid
CID 77129186
(2S)-2-amino-2-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]acetic acid
CID 66513387
2-amino-2-(4-chloro-3-hydroxy-2-methoxyphenyl)acetic acid
CID 117335291
(2R)-2-amino-2-(2,5-dichlorophenyl)acetic acid;hydrochloride
CID 162344521
2-amino-2-(4-amino-2-fluorophenyl)acetic acid
CID 77128000
2-amino-2-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)acetic acid
CID 117413952

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-chloro-3-fluoro-2-methylphenyl)acetic acid?
The IUPAC name of 2-amino-2-(4-chloro-3-fluoro-2-methylphenyl)acetic acid (CID 84785718) is 2-amino-2-(4-chloro-3-fluoro-2-methylphenyl)acetic acid.
What is the SMILES notation for 2-amino-2-(4-chloro-3-fluoro-2-methylphenyl)acetic acid?
The canonical SMILES for 2-amino-2-(4-chloro-3-fluoro-2-methylphenyl)acetic acid is Cc1c(C(N)C(=O)O)ccc(Cl)c1F.
What is the InChIKey of 2-amino-2-(4-chloro-3-fluoro-2-methylphenyl)acetic acid?
The InChIKey is JZTKMCMFHWRBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO2/c1-4-5(8(12)9(13)14)2-3-6(10)7(4)11/h2-3,8H,12H2,1H3,(H,13,14).
What are the key properties of 2-amino-2-(4-chloro-3-fluoro-2-methylphenyl)acetic acid?
2-amino-2-(4-chloro-3-fluoro-2-methylphenyl)acetic acid has a molecular weight of 217.63 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-chloro-3-fluoro-2-methylphenyl)acetic acid is sourced from PubChem (CID 84785718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).