2-N,3,4,6-tetrafluoro-1-N,1-N-dimethyl-5-(trifluoromethyl)benzene-1,2-dicarboxamide

C11H7F7N2O2 — CID 144631387

IUPAC2-N,3,4,6-tetrafluoro-1-N,1-N-dimethyl-5-(trifluoromethyl)benzene-1,2-dicarboxamide
SMILESCN(C)C(=O)c1c(F)c(C(F)(F)F)c(F)c(F)c1C(=O)NF
InChIInChI=1S/C11H7F7N2O2/c1-20(2)10(22)4-3(9(21)19-18)7(13)8(14)5(6(4)12)11(15,16)17/h1-2H3,(H,19,21)
InChIKeyXUDQUXJYYSFJFL-UHFFFAOYSA-N
MW332.18 g/mol
LogP2.44
Rot. Bonds2

About 2-N,3,4,6-tetrafluoro-1-N,1-N-dimethyl-5-(trifluoromethyl)benzene-1,2-dicarboxamide

2-N,3,4,6-tetrafluoro-1-N,1-N-dimethyl-5-(trifluoromethyl)benzene-1,2-dicarboxamide (PubChem CID 144631387) has the molecular formula C11H7F7N2O2 and a molecular weight of 332.18 g/mol. Its IUPAC name is 2-N,3,4,6-tetrafluoro-1-N,1-N-dimethyl-5-(trifluoromethyl)benzene-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N,3,4,6-tetrafluoro-1-N,1-N-dimethyl-5-(trifluoromethyl)benzene-1,2-dicarboxamide
PubChem CID144631387
Molecular FormulaC11H7F7N2O2
Molecular Weight332.18 g/mol
Exact Mass332.04
IUPAC Name2-N,3,4,6-tetrafluoro-1-N,1-N-dimethyl-5-(trifluoromethyl)benzene-1,2-dicarboxamide
SMILESCN(C)C(=O)c1c(F)c(C(F)(F)F)c(F)c(F)c1C(=O)NF
InChIInChI=1S/C11H7F7N2O2/c1-20(2)10(22)4-3(9(21)19-18)7(13)8(14)5(6(4)12)11(15,16)17/h1-2H3,(H,19,21)
InChIKeyXUDQUXJYYSFJFL-UHFFFAOYSA-N
XLogP2.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.18
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N,3,4,6-tetrafluoro-1-N,1-N-dimethyl-5-(trifluoromethyl)benzene-1,2-dicarboxamide?
The IUPAC name of 2-N,3,4,6-tetrafluoro-1-N,1-N-dimethyl-5-(trifluoromethyl)benzene-1,2-dicarboxamide (CID 144631387) is 2-N,3,4,6-tetrafluoro-1-N,1-N-dimethyl-5-(trifluoromethyl)benzene-1,2-dicarboxamide.
What is the SMILES notation for 2-N,3,4,6-tetrafluoro-1-N,1-N-dimethyl-5-(trifluoromethyl)benzene-1,2-dicarboxamide?
The canonical SMILES for 2-N,3,4,6-tetrafluoro-1-N,1-N-dimethyl-5-(trifluoromethyl)benzene-1,2-dicarboxamide is CN(C)C(=O)c1c(F)c(C(F)(F)F)c(F)c(F)c1C(=O)NF.
What is the InChIKey of 2-N,3,4,6-tetrafluoro-1-N,1-N-dimethyl-5-(trifluoromethyl)benzene-1,2-dicarboxamide?
The InChIKey is XUDQUXJYYSFJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F7N2O2/c1-20(2)10(22)4-3(9(21)19-18)7(13)8(14)5(6(4)12)11(15,16)17/h1-2H3,(H,19,21).
What are the key properties of 2-N,3,4,6-tetrafluoro-1-N,1-N-dimethyl-5-(trifluoromethyl)benzene-1,2-dicarboxamide?
2-N,3,4,6-tetrafluoro-1-N,1-N-dimethyl-5-(trifluoromethyl)benzene-1,2-dicarboxamide has a molecular weight of 332.18 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3,4,6-tetrafluoro-1-N,1-N-dimethyl-5-(trifluoromethyl)benzene-1,2-dicarboxamide is sourced from PubChem (CID 144631387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).