1-cyano-N-methyl-N-(3,3,3-trifluoropropyl)cyclopropane-1-carboxamide

C9H11F3N2O — CID 80593205

IUPAC1-cyano-N-methyl-N-(3,3,3-trifluoropropyl)cyclopropane-1-carboxamide
SMILESCN(CCC(F)(F)F)C(=O)C1(C#N)CC1
InChIInChI=1S/C9H11F3N2O/c1-14(5-4-9(10,11)12)7(15)8(6-13)2-3-8/h2-5H2,1H3
InChIKeyFXVSDOQOQRNEGB-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.70
Rot. Bonds3

About 1-cyano-N-methyl-N-(3,3,3-trifluoropropyl)cyclopropane-1-carboxamide

1-cyano-N-methyl-N-(3,3,3-trifluoropropyl)cyclopropane-1-carboxamide (PubChem CID 80593205) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 1-cyano-N-methyl-N-(3,3,3-trifluoropropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-methyl-N-(3,3,3-trifluoropropyl)cyclopropane-1-carboxamide
PubChem CID80593205
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name1-cyano-N-methyl-N-(3,3,3-trifluoropropyl)cyclopropane-1-carboxamide
SMILESCN(CCC(F)(F)F)C(=O)C1(C#N)CC1
InChIInChI=1S/C9H11F3N2O/c1-14(5-4-9(10,11)12)7(15)8(6-13)2-3-8/h2-5H2,1H3
InChIKeyFXVSDOQOQRNEGB-UHFFFAOYSA-N
XLogP1.70
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyano-N-methyl-N-propylcyclopropane-1-carboxamide
CID 80598123
1-cyano-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 61461375
1-cyano-N-(3-methoxypropyl)-N-methylcyclopropane-1-carboxamide
CID 80592807
1-cyano-N-(2-ethoxyethyl)-N-methylcyclopropane-1-carboxamide
CID 81056147
1-cyano-N-methyl-N-propylcycloheptane-1-carboxamide
CID 55207638
1-cyano-N-methyl-N-(2-methylsulfanylethyl)cyclobutane-1-carboxamide
CID 112698091
1-cyano-N-[2-(2-fluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115181749
1-cyano-N-methyl-N-[2-(4-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115181721
1-cyano-N-(2-methoxyethyl)-N-methylcyclohexane-1-carboxamide
CID 61461914
1-cyano-N-(3-hydroxybutyl)-N-methylcyclobutane-1-carboxamide
CID 111758296
1-cyano-N-(5-hydroxypentyl)-N-methylcycloheptane-1-carboxamide
CID 107199530
1-cyano-N-methyl-N-[2-(oxan-4-yl)ethyl]cyclobutane-1-carboxamide
CID 115183403

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-methyl-N-(3,3,3-trifluoropropyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-methyl-N-(3,3,3-trifluoropropyl)cyclopropane-1-carboxamide (CID 80593205) is 1-cyano-N-methyl-N-(3,3,3-trifluoropropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-methyl-N-(3,3,3-trifluoropropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-methyl-N-(3,3,3-trifluoropropyl)cyclopropane-1-carboxamide is CN(CCC(F)(F)F)C(=O)C1(C#N)CC1.
What is the InChIKey of 1-cyano-N-methyl-N-(3,3,3-trifluoropropyl)cyclopropane-1-carboxamide?
The InChIKey is FXVSDOQOQRNEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-14(5-4-9(10,11)12)7(15)8(6-13)2-3-8/h2-5H2,1H3.
What are the key properties of 1-cyano-N-methyl-N-(3,3,3-trifluoropropyl)cyclopropane-1-carboxamide?
1-cyano-N-methyl-N-(3,3,3-trifluoropropyl)cyclopropane-1-carboxamide has a molecular weight of 220.19 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-methyl-N-(3,3,3-trifluoropropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80593205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).