[3-[(2,2-difluoroacetyl)amino]-2-fluoro-4-methylphenyl]-methoxy-oxoazanium

C10H10F3N2O3+ — CID 153077525

IUPAC[3-[(2,2-difluoroacetyl)amino]-2-fluoro-4-methylphenyl]-methoxy-oxoazanium
SMILESCO[N+](=O)c1ccc(C)c(NC(=O)C(F)F)c1F
InChIInChI=1S/C10H9F3N2O3/c1-5-3-4-6(15(17)18-2)7(11)8(5)14-10(16)9(12)13/h3-4,9H,1-2H3/p+1
InChIKeyVMPKJRBFPFRMEF-UHFFFAOYSA-O
MW263.19 g/mol
LogP2.31
Rot. Bonds4

About [3-[(2,2-difluoroacetyl)amino]-2-fluoro-4-methylphenyl]-methoxy-oxoazanium

[3-[(2,2-difluoroacetyl)amino]-2-fluoro-4-methylphenyl]-methoxy-oxoazanium (PubChem CID 153077525) has the molecular formula C10H10F3N2O3+ and a molecular weight of 263.19 g/mol. Its IUPAC name is [3-[(2,2-difluoroacetyl)amino]-2-fluoro-4-methylphenyl]-methoxy-oxoazanium.

Molecular Properties

Compound Name[3-[(2,2-difluoroacetyl)amino]-2-fluoro-4-methylphenyl]-methoxy-oxoazanium
PubChem CID153077525
Molecular FormulaC10H10F3N2O3+
Molecular Weight263.19 g/mol
Exact Mass263.06
IUPAC Name[3-[(2,2-difluoroacetyl)amino]-2-fluoro-4-methylphenyl]-methoxy-oxoazanium
SMILESCO[N+](=O)c1ccc(C)c(NC(=O)C(F)F)c1F
InChIInChI=1S/C10H9F3N2O3/c1-5-3-4-6(15(17)18-2)7(11)8(5)14-10(16)9(12)13/h3-4,9H,1-2H3/p+1
InChIKeyVMPKJRBFPFRMEF-UHFFFAOYSA-O
XLogP2.31
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.19
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-difluoro-N-(2,3,5,6-tetrafluorophenyl)acetamide
CID 107646145
(3-amino-2,4-dimethylphenyl)-methoxy-oxoazanium
CID 89323692
N-(3,4-difluoro-5-methylphenyl)-2,2-difluoroacetamide
CID 165403947
5-[(2,2-difluoroacetyl)amino]-2-methylbenzoic acid
CID 103513291
N-(2,6-difluoro-3-methylphenyl)-2-(methylamino)propanamide
CID 82818428
(2S)-N-(2,6-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
CID 51473397
methyl 2-fluoro-3-methyl-4-nitrobenzoate
CID 90442178
methyl 2-fluoro-4-methyl-3-nitrobenzoate
CID 131875204
[(2S)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 4-methyl-3-nitrobenzoate
CID 8887168
2,2-difluoro-N-(3-fluoro-2-methylphenyl)acetamide
CID 103515626
N-(4-chloro-2-methylphenyl)-2,2-difluoroacetamide
CID 103605147
methyl 3-[2-(butylamino)propanoylamino]-4-methylthiophene-2-carboxylate
CID 71587156

Frequently Asked Questions

What is the IUPAC name of [3-[(2,2-difluoroacetyl)amino]-2-fluoro-4-methylphenyl]-methoxy-oxoazanium?
The IUPAC name of [3-[(2,2-difluoroacetyl)amino]-2-fluoro-4-methylphenyl]-methoxy-oxoazanium (CID 153077525) is [3-[(2,2-difluoroacetyl)amino]-2-fluoro-4-methylphenyl]-methoxy-oxoazanium.
What is the SMILES notation for [3-[(2,2-difluoroacetyl)amino]-2-fluoro-4-methylphenyl]-methoxy-oxoazanium?
The canonical SMILES for [3-[(2,2-difluoroacetyl)amino]-2-fluoro-4-methylphenyl]-methoxy-oxoazanium is CO[N+](=O)c1ccc(C)c(NC(=O)C(F)F)c1F.
What is the InChIKey of [3-[(2,2-difluoroacetyl)amino]-2-fluoro-4-methylphenyl]-methoxy-oxoazanium?
The InChIKey is VMPKJRBFPFRMEF-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H9F3N2O3/c1-5-3-4-6(15(17)18-2)7(11)8(5)14-10(16)9(12)13/h3-4,9H,1-2H3/p+1.
What are the key properties of [3-[(2,2-difluoroacetyl)amino]-2-fluoro-4-methylphenyl]-methoxy-oxoazanium?
[3-[(2,2-difluoroacetyl)amino]-2-fluoro-4-methylphenyl]-methoxy-oxoazanium has a molecular weight of 263.19 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,2-difluoroacetyl)amino]-2-fluoro-4-methylphenyl]-methoxy-oxoazanium is sourced from PubChem (CID 153077525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).