N-methyl-3-(trifluoromethyl)cyclobutane-1-carboxamide

C7H10F3NO — CID 162605739

IUPACN-methyl-3-(trifluoromethyl)cyclobutane-1-carboxamide
SMILESCNC(=O)C1CC(C(F)(F)F)C1
InChIInChI=1S/C7H10F3NO/c1-11-6(12)4-2-5(3-4)7(8,9)10/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyTYTDTQMPERQRSL-UHFFFAOYSA-N
MW181.16 g/mol
LogP1.32
Rot. Bonds1

About N-methyl-3-(trifluoromethyl)cyclobutane-1-carboxamide

N-methyl-3-(trifluoromethyl)cyclobutane-1-carboxamide (PubChem CID 162605739) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is N-methyl-3-(trifluoromethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-3-(trifluoromethyl)cyclobutane-1-carboxamide
PubChem CID162605739
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC NameN-methyl-3-(trifluoromethyl)cyclobutane-1-carboxamide
SMILESCNC(=O)C1CC(C(F)(F)F)C1
InChIInChI=1S/C7H10F3NO/c1-11-6(12)4-2-5(3-4)7(8,9)10/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyTYTDTQMPERQRSL-UHFFFAOYSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(trifluoromethyl)cyclobutane-1-carboxamide?
The IUPAC name of N-methyl-3-(trifluoromethyl)cyclobutane-1-carboxamide (CID 162605739) is N-methyl-3-(trifluoromethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-methyl-3-(trifluoromethyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-methyl-3-(trifluoromethyl)cyclobutane-1-carboxamide is CNC(=O)C1CC(C(F)(F)F)C1.
What is the InChIKey of N-methyl-3-(trifluoromethyl)cyclobutane-1-carboxamide?
The InChIKey is TYTDTQMPERQRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO/c1-11-6(12)4-2-5(3-4)7(8,9)10/h4-5H,2-3H2,1H3,(H,11,12).
What are the key properties of N-methyl-3-(trifluoromethyl)cyclobutane-1-carboxamide?
N-methyl-3-(trifluoromethyl)cyclobutane-1-carboxamide has a molecular weight of 181.16 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(trifluoromethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 162605739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).