2-amino-2-(2,6-difluoro-3-methylphenyl)-3,3,3-trifluoropropanoic acid

C10H8F5NO2 — CID 82823247

IUPAC2-amino-2-(2,6-difluoro-3-methylphenyl)-3,3,3-trifluoropropanoic acid
SMILESCc1ccc(F)c(C(N)(C(=O)O)C(F)(F)F)c1F
InChIInChI=1S/C10H8F5NO2/c1-4-2-3-5(11)6(7(4)12)9(16,8(17)18)10(13,14)15/h2-3H,16H2,1H3,(H,17,18)
InChIKeyDDXMKFMAMMAEEV-UHFFFAOYSA-N
MW269.17 g/mol
LogP2.07
Rot. Bonds2

About 2-amino-2-(2,6-difluoro-3-methylphenyl)-3,3,3-trifluoropropanoic acid

2-amino-2-(2,6-difluoro-3-methylphenyl)-3,3,3-trifluoropropanoic acid (PubChem CID 82823247) has the molecular formula C10H8F5NO2 and a molecular weight of 269.17 g/mol. Its IUPAC name is 2-amino-2-(2,6-difluoro-3-methylphenyl)-3,3,3-trifluoropropanoic acid.

Molecular Properties

Compound Name2-amino-2-(2,6-difluoro-3-methylphenyl)-3,3,3-trifluoropropanoic acid
PubChem CID82823247
Molecular FormulaC10H8F5NO2
Molecular Weight269.17 g/mol
Exact Mass269.05
IUPAC Name2-amino-2-(2,6-difluoro-3-methylphenyl)-3,3,3-trifluoropropanoic acid
SMILESCc1ccc(F)c(C(N)(C(=O)O)C(F)(F)F)c1F
InChIInChI=1S/C10H8F5NO2/c1-4-2-3-5(11)6(7(4)12)9(16,8(17)18)10(13,14)15/h2-3H,16H2,1H3,(H,17,18)
InChIKeyDDXMKFMAMMAEEV-UHFFFAOYSA-N
XLogP2.07
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-2-(2,6-difluoro-3-methylphenyl)-3,3,3-trifluoropropanoic acid with MolForge

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Related Compounds

(2R)-2-amino-2-(4-chlorophenyl)-3,3,3-trifluoropropanoic acid
CID 131872455
(2R)-2-amino-2-(2,6-difluoro-3-methylphenyl)propan-1-ol
CID 130691213
(2R)-2-amino-3,3,3-trifluoro-2-(2-fluorophenyl)propanoic acid
CID 95298200
2-amino-3,3,3-trifluoro-2-(2-methoxy-3,4-dimethylphenyl)propanoic acid
CID 103434282
2,2-difluoro-2-(2,3,6-trifluorophenyl)acetic acid
CID 150687577
2-amino-1-(2,3-difluoro-4-methylphenyl)-3,3,3-trifluoro-2-methylpropan-1-one
CID 107514954
1-amino-2-(2,6-difluoro-3-methylphenyl)propan-2-ol
CID 82819317
2-[(2,6-difluoro-3-methylbenzoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 82796858
(2R)-2-amino-2-(4-aminophenyl)-3,3,3-trifluoropropanoic acid
CID 131872483
1-(2,6-difluoro-3-methylphenyl)-1-(2-fluorophenyl)ethanamine
CID 82819787
2-amino-2-(4-fluoro-3-methylphenyl)propanoic acid;hydrochloride
CID 82129155
(2S)-2-amino-3,3,3-trifluoro-2-(3-fluorophenyl)propanoic acid
CID 95298191

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2,6-difluoro-3-methylphenyl)-3,3,3-trifluoropropanoic acid?
The IUPAC name of 2-amino-2-(2,6-difluoro-3-methylphenyl)-3,3,3-trifluoropropanoic acid (CID 82823247) is 2-amino-2-(2,6-difluoro-3-methylphenyl)-3,3,3-trifluoropropanoic acid.
What is the SMILES notation for 2-amino-2-(2,6-difluoro-3-methylphenyl)-3,3,3-trifluoropropanoic acid?
The canonical SMILES for 2-amino-2-(2,6-difluoro-3-methylphenyl)-3,3,3-trifluoropropanoic acid is Cc1ccc(F)c(C(N)(C(=O)O)C(F)(F)F)c1F.
What is the InChIKey of 2-amino-2-(2,6-difluoro-3-methylphenyl)-3,3,3-trifluoropropanoic acid?
The InChIKey is DDXMKFMAMMAEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F5NO2/c1-4-2-3-5(11)6(7(4)12)9(16,8(17)18)10(13,14)15/h2-3H,16H2,1H3,(H,17,18).
What are the key properties of 2-amino-2-(2,6-difluoro-3-methylphenyl)-3,3,3-trifluoropropanoic acid?
2-amino-2-(2,6-difluoro-3-methylphenyl)-3,3,3-trifluoropropanoic acid has a molecular weight of 269.17 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2,6-difluoro-3-methylphenyl)-3,3,3-trifluoropropanoic acid is sourced from PubChem (CID 82823247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).