2-(2,5-difluoro-4-nitrophenyl)-2-methylpropanoic acid

C10H9F2NO4 — CID 142721368

IUPAC2-(2,5-difluoro-4-nitrophenyl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1cc(F)c([N+](=O)[O-])cc1F
InChIInChI=1S/C10H9F2NO4/c1-10(2,9(14)15)5-3-7(12)8(13(16)17)4-6(5)11/h3-4H,1-2H3,(H,14,15)
InChIKeyGNEUJIFAHGFPDS-UHFFFAOYSA-N
MW245.18 g/mol
LogP2.24
Rot. Bonds3

About 2-(2,5-difluoro-4-nitrophenyl)-2-methylpropanoic acid

2-(2,5-difluoro-4-nitrophenyl)-2-methylpropanoic acid (PubChem CID 142721368) has the molecular formula C10H9F2NO4 and a molecular weight of 245.18 g/mol. Its IUPAC name is 2-(2,5-difluoro-4-nitrophenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(2,5-difluoro-4-nitrophenyl)-2-methylpropanoic acid
PubChem CID142721368
Molecular FormulaC10H9F2NO4
Molecular Weight245.18 g/mol
Exact Mass245.05
IUPAC Name2-(2,5-difluoro-4-nitrophenyl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1cc(F)c([N+](=O)[O-])cc1F
InChIInChI=1S/C10H9F2NO4/c1-10(2,9(14)15)5-3-7(12)8(13(16)17)4-6(5)11/h3-4H,1-2H3,(H,14,15)
InChIKeyGNEUJIFAHGFPDS-UHFFFAOYSA-N
XLogP2.24
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.18
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

acetic acid;1,2,4-trifluoro-5-nitrobenzene
CID 174830046
1,4-difluoro-2,5-dinitrobenzene
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1-tert-butyl-4-fluoro-2-methoxy-5-nitrobenzene;carbamic acid
CID 162152668
2-[(3-fluoro-4-nitrophenyl)sulfonyl-methylamino]-2-methylpropanoic acid
CID 82846414
2-[(3-fluoro-4-nitrobenzoyl)-methylamino]-2-methylpropanoic acid
CID 62818856
2-(2,4-difluoro-5-nitrophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 166610434
N-tert-butyl-2,4-difluoro-5-nitrobenzamide
CID 64592660
2-(2-fluoro-5-methylphenyl)-2-methylpropanoic acid
CID 62394143
2-methyl-2-(2-methyl-5-nitrophenyl)propanoic acid
CID 131526104
4-fluoro-5-nitro-2-(trifluoromethyl)aniline
CID 131316760
2-(4-bromo-5-fluoro-N-methyl-2-nitroanilino)-2-methylpropanoic acid
CID 66110061
2-(5-fluoro-4-iodo-N-methyl-2-nitroanilino)-2-methylpropanoic acid
CID 66086178

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluoro-4-nitrophenyl)-2-methylpropanoic acid?
The IUPAC name of 2-(2,5-difluoro-4-nitrophenyl)-2-methylpropanoic acid (CID 142721368) is 2-(2,5-difluoro-4-nitrophenyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(2,5-difluoro-4-nitrophenyl)-2-methylpropanoic acid?
The canonical SMILES for 2-(2,5-difluoro-4-nitrophenyl)-2-methylpropanoic acid is CC(C)(C(=O)O)c1cc(F)c([N+](=O)[O-])cc1F.
What is the InChIKey of 2-(2,5-difluoro-4-nitrophenyl)-2-methylpropanoic acid?
The InChIKey is GNEUJIFAHGFPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO4/c1-10(2,9(14)15)5-3-7(12)8(13(16)17)4-6(5)11/h3-4H,1-2H3,(H,14,15).
What are the key properties of 2-(2,5-difluoro-4-nitrophenyl)-2-methylpropanoic acid?
2-(2,5-difluoro-4-nitrophenyl)-2-methylpropanoic acid has a molecular weight of 245.18 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluoro-4-nitrophenyl)-2-methylpropanoic acid is sourced from PubChem (CID 142721368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).