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

C9H12Cl2F3NO — CID 78865272

IUPAC2,2-dichloro-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)C1(C)CC1(Cl)Cl
InChIInChI=1S/C9H12Cl2F3NO/c1-3-15(5-9(12,13)14)6(16)7(2)4-8(7,10)11/h3-5H2,1-2H3
InChIKeyONFKVJLFKRQBQX-UHFFFAOYSA-N
MW278.10 g/mol
LogP2.98
Rot. Bonds3

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

2,2-dichloro-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide (PubChem CID 78865272) has the molecular formula C9H12Cl2F3NO and a molecular weight of 278.10 g/mol. Its IUPAC name is 2,2-dichloro-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
PubChem CID78865272
Molecular FormulaC9H12Cl2F3NO
Molecular Weight278.10 g/mol
Exact Mass277.02
IUPAC Name2,2-dichloro-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)C1(C)CC1(Cl)Cl
InChIInChI=1S/C9H12Cl2F3NO/c1-3-15(5-9(12,13)14)6(16)7(2)4-8(7,10)11/h3-5H2,1-2H3
InChIKeyONFKVJLFKRQBQX-UHFFFAOYSA-N
XLogP2.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.10
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2-dichloro-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dichloro-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 45840375
N,1-dimethyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 130290883
(1R)-2,2-dichloro-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 51969477
(1S)-2,2-dichloro-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 51969478
2,2-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 78858761
N-butyl-2,2-dichloro-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 78868725
2,2-dichloro-1-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 78882906
2,2-dichloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 78882931
N-butyl-2,2-dichloro-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 78884120
(2,2-Dichloro-1-methylcyclopropyl)-(3-fluoroazetidin-1-yl)methanone
CID 130612894
(2,2-Dichloro-1-methylcyclopropyl)-pyrrolidin-1-ylmethanone
CID 4244250
2,2-dichloro-N,N-diethyl-1-methylcyclopropane-1-carboxamide
CID 78783668

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide (CID 78865272) is 2,2-dichloro-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide is CCN(CC(F)(F)F)C(=O)C1(C)CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The InChIKey is ONFKVJLFKRQBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2F3NO/c1-3-15(5-9(12,13)14)6(16)7(2)4-8(7,10)11/h3-5H2,1-2H3.
What are the key properties of 2,2-dichloro-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
2,2-dichloro-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide has a molecular weight of 278.10 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 78865272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).