N-ethyl-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide

C14H22F3NO — CID 78864017

IUPACN-ethyl-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)C1C(C=C(C)C)C1(C)C
InChIInChI=1S/C14H22F3NO/c1-6-18(8-14(15,16)17)12(19)11-10(7-9(2)3)13(11,4)5/h7,10-11H,6,8H2,1-5H3
InChIKeyMLAAEBOYKCRADX-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.64
Rot. Bonds4

About N-ethyl-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide

N-ethyl-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide (PubChem CID 78864017) has the molecular formula C14H22F3NO and a molecular weight of 277.33 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
PubChem CID78864017
Molecular FormulaC14H22F3NO
Molecular Weight277.33 g/mol
Exact Mass277.17
IUPAC NameN-ethyl-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)C1C(C=C(C)C)C1(C)C
InChIInChI=1S/C14H22F3NO/c1-6-18(8-14(15,16)17)12(19)11-10(7-9(2)3)13(11,4)5/h7,10-11H,6,8H2,1-5H3
InChIKeyMLAAEBOYKCRADX-UHFFFAOYSA-N
XLogP3.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-ethyl-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide (CID 78864017) is N-ethyl-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-ethyl-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-ethyl-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide is CCN(CC(F)(F)F)C(=O)C1C(C=C(C)C)C1(C)C.
What is the InChIKey of N-ethyl-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The InChIKey is MLAAEBOYKCRADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO/c1-6-18(8-14(15,16)17)12(19)11-10(7-9(2)3)13(11,4)5/h7,10-11H,6,8H2,1-5H3.
What are the key properties of N-ethyl-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
N-ethyl-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 78864017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).