2-fluoro-N-methoxy-N-methyl-3-(trifluoromethyl)benzamide

C10H9F4NO2 — CID 11196047

IUPAC2-fluoro-N-methoxy-N-methyl-3-(trifluoromethyl)benzamide
SMILESCON(C)C(=O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C10H9F4NO2/c1-15(17-2)9(16)6-4-3-5-7(8(6)11)10(12,13)14/h3-5H,1-2H3
InChIKeyAKNKRFXQJUGIFS-UHFFFAOYSA-N
MW251.18 g/mol
LogP2.48
Rot. Bonds2

About 2-fluoro-N-methoxy-N-methyl-3-(trifluoromethyl)benzamide

2-fluoro-N-methoxy-N-methyl-3-(trifluoromethyl)benzamide (PubChem CID 11196047) has the molecular formula C10H9F4NO2 and a molecular weight of 251.18 g/mol. Its IUPAC name is 2-fluoro-N-methoxy-N-methyl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-methoxy-N-methyl-3-(trifluoromethyl)benzamide
PubChem CID11196047
Molecular FormulaC10H9F4NO2
Molecular Weight251.18 g/mol
Exact Mass251.06
IUPAC Name2-fluoro-N-methoxy-N-methyl-3-(trifluoromethyl)benzamide
SMILESCON(C)C(=O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C10H9F4NO2/c1-15(17-2)9(16)6-4-3-5-7(8(6)11)10(12,13)14/h3-5H,1-2H3
InChIKeyAKNKRFXQJUGIFS-UHFFFAOYSA-N
XLogP2.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.18
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methoxy-N-methyl-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-methoxy-N-methyl-3-(trifluoromethyl)benzamide (CID 11196047) is 2-fluoro-N-methoxy-N-methyl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-methoxy-N-methyl-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-methoxy-N-methyl-3-(trifluoromethyl)benzamide is CON(C)C(=O)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of 2-fluoro-N-methoxy-N-methyl-3-(trifluoromethyl)benzamide?
The InChIKey is AKNKRFXQJUGIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4NO2/c1-15(17-2)9(16)6-4-3-5-7(8(6)11)10(12,13)14/h3-5H,1-2H3.
What are the key properties of 2-fluoro-N-methoxy-N-methyl-3-(trifluoromethyl)benzamide?
2-fluoro-N-methoxy-N-methyl-3-(trifluoromethyl)benzamide has a molecular weight of 251.18 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methoxy-N-methyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 11196047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).