2-(3-amino-2,6-difluorophenyl)acetic acid

C8H7F2NO2 — CID 18405488

IUPAC2-(3-amino-2,6-difluorophenyl)acetic acid
SMILESNc1ccc(F)c(CC(=O)O)c1F
InChIInChI=1S/C8H7F2NO2/c9-5-1-2-6(11)8(10)4(5)3-7(12)13/h1-2H,3,11H2,(H,12,13)
InChIKeyPBRBAMBAUPFFFX-UHFFFAOYSA-N
MW187.15 g/mol
LogP1.17
Rot. Bonds2

About 2-(3-amino-2,6-difluorophenyl)acetic acid

2-(3-amino-2,6-difluorophenyl)acetic acid (PubChem CID 18405488) has the molecular formula C8H7F2NO2 and a molecular weight of 187.15 g/mol. Its IUPAC name is 2-(3-amino-2,6-difluorophenyl)acetic acid.

Molecular Properties

Compound Name2-(3-amino-2,6-difluorophenyl)acetic acid
PubChem CID18405488
Molecular FormulaC8H7F2NO2
Molecular Weight187.15 g/mol
Exact Mass187.04
IUPAC Name2-(3-amino-2,6-difluorophenyl)acetic acid
SMILESNc1ccc(F)c(CC(=O)O)c1F
InChIInChI=1S/C8H7F2NO2/c9-5-1-2-6(11)8(10)4(5)3-7(12)13/h1-2H,3,11H2,(H,12,13)
InChIKeyPBRBAMBAUPFFFX-UHFFFAOYSA-N
XLogP1.17
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.15
LogP ≤ 51.17
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-(2,6-difluoro-3-methylsulfanylphenyl)acetic acid
CID 117310716
2-(2-amino-3-cyano-6-fluorophenyl)acetic acid
CID 171011236
2-(6-amino-2-fluoro-3-methoxyphenyl)acetic acid
CID 171034052
2-(2-amino-4,6-difluorophenyl)acetic acid
CID 121232026
2-(2-acetyl-6-fluorophenyl)acetic acid
CID 121231894
2-(3,6-difluoro-2-nitrophenyl)acetic acid
CID 131580413
2-(3-amino-2-chloro-4-fluorophenyl)acetic acid
CID 171033959
2-(6-fluoro-2-methoxy-3-methylphenyl)acetic acid
CID 84668066
2-[3-chloro-6-fluoro-2-(trifluoromethyl)phenyl]acetic acid
CID 131283200
2-[2-chloro-6-fluoro-3-(trifluoromethyl)phenyl]acetic acid
CID 119006326
1-(3-amino-2,6-difluorophenyl)-2-chloroethanone
CID 171017114
(3-amino-2,6-difluorophenyl)-phenylmethanone
CID 79772791

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2,6-difluorophenyl)acetic acid?
The IUPAC name of 2-(3-amino-2,6-difluorophenyl)acetic acid (CID 18405488) is 2-(3-amino-2,6-difluorophenyl)acetic acid.
What is the SMILES notation for 2-(3-amino-2,6-difluorophenyl)acetic acid?
The canonical SMILES for 2-(3-amino-2,6-difluorophenyl)acetic acid is Nc1ccc(F)c(CC(=O)O)c1F.
What is the InChIKey of 2-(3-amino-2,6-difluorophenyl)acetic acid?
The InChIKey is PBRBAMBAUPFFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO2/c9-5-1-2-6(11)8(10)4(5)3-7(12)13/h1-2H,3,11H2,(H,12,13).
What are the key properties of 2-(3-amino-2,6-difluorophenyl)acetic acid?
2-(3-amino-2,6-difluorophenyl)acetic acid has a molecular weight of 187.15 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2,6-difluorophenyl)acetic acid is sourced from PubChem (CID 18405488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).