2-(2,5-difluorophenyl)-2-formamidopropanoic acid

C10H9F2NO3 — CID 63687449

IUPAC2-(2,5-difluorophenyl)-2-formamidopropanoic acid
SMILESCC(NC=O)(C(=O)O)c1cc(F)ccc1F
InChIInChI=1S/C10H9F2NO3/c1-10(9(15)16,13-5-14)7-4-6(11)2-3-8(7)12/h2-5H,1H3,(H,13,14)(H,15,16)
InChIKeyCNUZDFCDSHNIKH-UHFFFAOYSA-N
MW229.18 g/mol
LogP1.01
Rot. Bonds4

About 2-(2,5-difluorophenyl)-2-formamidopropanoic acid

2-(2,5-difluorophenyl)-2-formamidopropanoic acid (PubChem CID 63687449) has the molecular formula C10H9F2NO3 and a molecular weight of 229.18 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-2-formamidopropanoic acid.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-2-formamidopropanoic acid
PubChem CID63687449
Molecular FormulaC10H9F2NO3
Molecular Weight229.18 g/mol
Exact Mass229.06
IUPAC Name2-(2,5-difluorophenyl)-2-formamidopropanoic acid
SMILESCC(NC=O)(C(=O)O)c1cc(F)ccc1F
InChIInChI=1S/C10H9F2NO3/c1-10(9(15)16,13-5-14)7-4-6(11)2-3-8(7)12/h2-5H,1H3,(H,13,14)(H,15,16)
InChIKeyCNUZDFCDSHNIKH-UHFFFAOYSA-N
XLogP1.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.18
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-fluorophenyl)-2-formamidopropanoic acid
CID 63687632
2-(5-bromo-2-fluorophenyl)-2-(4-fluoroanilino)propanoic acid
CID 82955167
methyl (2R)-2-acetamido-2-(2,5-difluorophenyl)propanoate
CID 52873787
(2S)-2-formamido-2-phenylpropanoic acid
CID 86615567
2-(3,4-dichlorophenyl)-2-formamidopropanoic acid
CID 63689862
2-(2,5-difluorophenyl)-2-methylpentanedioic acid
CID 117050123
2-[2-(2,5-difluorophenyl)propan-2-yl]-1,4-difluorobenzene
CID 90465421
2-(2,5-difluorophenyl)-N',2-dimethylpropanehydrazide
CID 116847169
(2S)-2-(2,5-difluorophenyl)-2-[[3-(2-methoxyethoxy)benzoyl]amino]propanoic acid
CID 97233833
2-(5-fluoro-2-methoxyphenyl)-2-hydrazinylpropanoic acid
CID 82128315
2-(2,5-difluorophenyl)-3,3-dimethylbutan-2-ol
CID 115401141
4-amino-3-(2,5-difluorophenyl)-3,4-dimethylpentanoic acid
CID 66089778

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-2-formamidopropanoic acid?
The IUPAC name of 2-(2,5-difluorophenyl)-2-formamidopropanoic acid (CID 63687449) is 2-(2,5-difluorophenyl)-2-formamidopropanoic acid.
What is the SMILES notation for 2-(2,5-difluorophenyl)-2-formamidopropanoic acid?
The canonical SMILES for 2-(2,5-difluorophenyl)-2-formamidopropanoic acid is CC(NC=O)(C(=O)O)c1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluorophenyl)-2-formamidopropanoic acid?
The InChIKey is CNUZDFCDSHNIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO3/c1-10(9(15)16,13-5-14)7-4-6(11)2-3-8(7)12/h2-5H,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-(2,5-difluorophenyl)-2-formamidopropanoic acid?
2-(2,5-difluorophenyl)-2-formamidopropanoic acid has a molecular weight of 229.18 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-2-formamidopropanoic acid is sourced from PubChem (CID 63687449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).