1-methyl-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide

C8H12F3NO — CID 118361886

IUPAC1-methyl-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide
SMILESCC1(C(=O)NCC(F)(F)F)CCC1
InChIInChI=1S/C8H12F3NO/c1-7(3-2-4-7)6(13)12-5-8(9,10)11/h2-5H2,1H3,(H,12,13)
InChIKeyLNLFJKXQOWVKLE-UHFFFAOYSA-N
MW195.18 g/mol
LogP1.86
Rot. Bonds2

About 1-methyl-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide

1-methyl-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide (PubChem CID 118361886) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is 1-methyl-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide
PubChem CID118361886
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Name1-methyl-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide
SMILESCC1(C(=O)NCC(F)(F)F)CCC1
InChIInChI=1S/C8H12F3NO/c1-7(3-2-4-7)6(13)12-5-8(9,10)11/h2-5H2,1H3,(H,12,13)
InChIKeyLNLFJKXQOWVKLE-UHFFFAOYSA-N
XLogP1.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-methyl-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide (CID 118361886) is 1-methyl-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-methyl-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-methyl-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide is CC1(C(=O)NCC(F)(F)F)CCC1.
What is the InChIKey of 1-methyl-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide?
The InChIKey is LNLFJKXQOWVKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO/c1-7(3-2-4-7)6(13)12-5-8(9,10)11/h2-5H2,1H3,(H,12,13).
What are the key properties of 1-methyl-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide?
1-methyl-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide has a molecular weight of 195.18 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 118361886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).