3-fluoro-N,N-dimethoxy-5-(trifluoromethyl)benzamide

C10H9F4NO3 — CID 58962590

IUPAC3-fluoro-N,N-dimethoxy-5-(trifluoromethyl)benzamide
SMILESCON(OC)C(=O)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C10H9F4NO3/c1-17-15(18-2)9(16)6-3-7(10(12,13)14)5-8(11)4-6/h3-5H,1-2H3
InChIKeyYTQMNWYJTLNZEL-UHFFFAOYSA-N
MW267.18 g/mol
LogP2.41
Rot. Bonds3

About 3-fluoro-N,N-dimethoxy-5-(trifluoromethyl)benzamide

3-fluoro-N,N-dimethoxy-5-(trifluoromethyl)benzamide (PubChem CID 58962590) has the molecular formula C10H9F4NO3 and a molecular weight of 267.18 g/mol. Its IUPAC name is 3-fluoro-N,N-dimethoxy-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N,N-dimethoxy-5-(trifluoromethyl)benzamide
PubChem CID58962590
Molecular FormulaC10H9F4NO3
Molecular Weight267.18 g/mol
Exact Mass267.05
IUPAC Name3-fluoro-N,N-dimethoxy-5-(trifluoromethyl)benzamide
SMILESCON(OC)C(=O)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C10H9F4NO3/c1-17-15(18-2)9(16)6-3-7(10(12,13)14)5-8(11)4-6/h3-5H,1-2H3
InChIKeyYTQMNWYJTLNZEL-UHFFFAOYSA-N
XLogP2.41
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.18
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-fluoro-N,N-dimethoxy-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-fluoro-N,N-dimethoxy-5-(trifluoromethyl)benzamide (CID 58962590) is 3-fluoro-N,N-dimethoxy-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-fluoro-N,N-dimethoxy-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-fluoro-N,N-dimethoxy-5-(trifluoromethyl)benzamide is CON(OC)C(=O)c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 3-fluoro-N,N-dimethoxy-5-(trifluoromethyl)benzamide?
The InChIKey is YTQMNWYJTLNZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4NO3/c1-17-15(18-2)9(16)6-3-7(10(12,13)14)5-8(11)4-6/h3-5H,1-2H3.
What are the key properties of 3-fluoro-N,N-dimethoxy-5-(trifluoromethyl)benzamide?
3-fluoro-N,N-dimethoxy-5-(trifluoromethyl)benzamide has a molecular weight of 267.18 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N,N-dimethoxy-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 58962590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).