N-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide

C7H10F3NO — CID 54472334

IUPACN-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide
SMILESCNC(=O)C1(C(F)(F)F)CCC1
InChIInChI=1S/C7H10F3NO/c1-11-5(12)6(3-2-4-6)7(8,9)10/h2-4H2,1H3,(H,11,12)
InChIKeyXJEZLGXNHNUXLX-UHFFFAOYSA-N
MW181.16 g/mol
LogP1.47
Rot. Bonds1

About N-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide

N-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide (PubChem CID 54472334) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is N-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide
PubChem CID54472334
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC NameN-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide
SMILESCNC(=O)C1(C(F)(F)F)CCC1
InChIInChI=1S/C7H10F3NO/c1-11-5(12)6(3-2-4-6)7(8,9)10/h2-4H2,1H3,(H,11,12)
InChIKeyXJEZLGXNHNUXLX-UHFFFAOYSA-N
XLogP1.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide?
The IUPAC name of N-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide (CID 54472334) is N-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide is CNC(=O)C1(C(F)(F)F)CCC1.
What is the InChIKey of N-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide?
The InChIKey is XJEZLGXNHNUXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO/c1-11-5(12)6(3-2-4-6)7(8,9)10/h2-4H2,1H3,(H,11,12).
What are the key properties of N-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide?
N-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide has a molecular weight of 181.16 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 54472334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).