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

C7H10F3NO — CID 59364074

IUPAC1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
SMILESCC1(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C7H10F3NO/c1-6(2-3-6)5(12)11-4-7(8,9)10/h2-4H2,1H3,(H,11,12)
InChIKeyKZDBTXJDVLTILZ-UHFFFAOYSA-N
MW181.16 g/mol
LogP1.47
Rot. Bonds2

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

1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide (PubChem CID 59364074) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is 1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
PubChem CID59364074
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
SMILESCC1(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C7H10F3NO/c1-6(2-3-6)5(12)11-4-7(8,9)10/h2-4H2,1H3,(H,11,12)
InChIKeyKZDBTXJDVLTILZ-UHFFFAOYSA-N
XLogP1.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide (CID 59364074) is 1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide is CC1(C(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The InChIKey is KZDBTXJDVLTILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO/c1-6(2-3-6)5(12)11-4-7(8,9)10/h2-4H2,1H3,(H,11,12).
What are the key properties of 1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide has a molecular weight of 181.16 g/mol, XLogP of 1.47, 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)cyclopropane-1-carboxamide is sourced from PubChem (CID 59364074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).