2-(4-amino-2-fluoro-5-methylphenyl)acetic acid

C9H10FNO2 — CID 91755180

IUPAC2-(4-amino-2-fluoro-5-methylphenyl)acetic acid
SMILESCc1cc(CC(=O)O)c(F)cc1N
InChIInChI=1S/C9H10FNO2/c1-5-2-6(3-9(12)13)7(10)4-8(5)11/h2,4H,3,11H2,1H3,(H,12,13)
InChIKeyMDAATSBBGFBLQH-UHFFFAOYSA-N
MW183.18 g/mol
LogP1.34
Rot. Bonds2

About 2-(4-amino-2-fluoro-5-methylphenyl)acetic acid

2-(4-amino-2-fluoro-5-methylphenyl)acetic acid (PubChem CID 91755180) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is 2-(4-amino-2-fluoro-5-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-(4-amino-2-fluoro-5-methylphenyl)acetic acid
PubChem CID91755180
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name2-(4-amino-2-fluoro-5-methylphenyl)acetic acid
SMILESCc1cc(CC(=O)O)c(F)cc1N
InChIInChI=1S/C9H10FNO2/c1-5-2-6(3-9(12)13)7(10)4-8(5)11/h2,4H,3,11H2,1H3,(H,12,13)
InChIKeyMDAATSBBGFBLQH-UHFFFAOYSA-N
XLogP1.34
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-amino-5-fluoro-2-methylphenyl)acetic acid
CID 91755197
2-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]acetic acid
CID 66523493
2-(2-fluoro-4-methyl-5-methylsulfanylphenyl)acetic acid
CID 117305515
2-[4-(carboxymethyl)-2,5-dimethylphenyl]acetic acid
CID 658274
2-(5-ethyl-2,4-difluorophenyl)acetic acid
CID 117289054
2-(2-amino-4-bromo-5-fluorophenyl)acetic acid
CID 131517676
2-(2-chloro-4-fluoro-5-methylphenyl)acetic acid
CID 119005832
2-(2-amino-4,6-difluorophenyl)acetic acid
CID 121232026
2-(4-ethoxycarbonyl-2,5-difluorophenyl)acetic acid
CID 10444484
(2R)-2-amino-2-(4-amino-2-fluoro-5-methylphenyl)ethanol
CID 66513540
2-(5-amino-2-fluoro-4-methylphenyl)acetaldehyde
CID 87214166
3-(4-amino-2-fluoro-5-methylphenyl)-2,3-dihydroxypropanoic acid
CID 170823988

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-fluoro-5-methylphenyl)acetic acid?
The IUPAC name of 2-(4-amino-2-fluoro-5-methylphenyl)acetic acid (CID 91755180) is 2-(4-amino-2-fluoro-5-methylphenyl)acetic acid.
What is the SMILES notation for 2-(4-amino-2-fluoro-5-methylphenyl)acetic acid?
The canonical SMILES for 2-(4-amino-2-fluoro-5-methylphenyl)acetic acid is Cc1cc(CC(=O)O)c(F)cc1N.
What is the InChIKey of 2-(4-amino-2-fluoro-5-methylphenyl)acetic acid?
The InChIKey is MDAATSBBGFBLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c1-5-2-6(3-9(12)13)7(10)4-8(5)11/h2,4H,3,11H2,1H3,(H,12,13).
What are the key properties of 2-(4-amino-2-fluoro-5-methylphenyl)acetic acid?
2-(4-amino-2-fluoro-5-methylphenyl)acetic acid has a molecular weight of 183.18 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-fluoro-5-methylphenyl)acetic acid is sourced from PubChem (CID 91755180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).