N-butyl-2,2-dichloro-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide

C10H14Cl2F3NO — CID 78868725

IUPACN-butyl-2,2-dichloro-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)C1CC1(Cl)Cl
InChIInChI=1S/C10H14Cl2F3NO/c1-2-3-4-16(6-10(13,14)15)8(17)7-5-9(7,11)12/h7H,2-6H2,1H3
InChIKeyAMJFKMIXLOJGGT-UHFFFAOYSA-N
MW292.13 g/mol
LogP3.37
Rot. Bonds5

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

N-butyl-2,2-dichloro-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide (PubChem CID 78868725) has the molecular formula C10H14Cl2F3NO and a molecular weight of 292.13 g/mol. Its IUPAC name is N-butyl-2,2-dichloro-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-butyl-2,2-dichloro-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
PubChem CID78868725
Molecular FormulaC10H14Cl2F3NO
Molecular Weight292.13 g/mol
Exact Mass291.04
IUPAC NameN-butyl-2,2-dichloro-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)C1CC1(Cl)Cl
InChIInChI=1S/C10H14Cl2F3NO/c1-2-3-4-16(6-10(13,14)15)8(17)7-5-9(7,11)12/h7H,2-6H2,1H3
InChIKeyAMJFKMIXLOJGGT-UHFFFAOYSA-N
XLogP3.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.13
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[butyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975228
3-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 66009798
N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)acetamide
CID 60809342
2-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 64822616
(1S,6R)-6-[butyl(2,2,2-trifluoroethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962177
6-[butyl(2,2,2-trifluoroethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 60949932
4-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 66239061
N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
CID 107067711
N-butyl-4-chloro-N-(2,2,2-trifluoroethyl)butanamide
CID 63307840
2,2-dichloro-N-(cyclopropylmethyl)-N-propylcyclopropane-1-carboxamide
CID 78836724
1-(aminomethyl)-N-butyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 113312851
N-butyl-6-oxo-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 112729310

Frequently Asked Questions

What is the IUPAC name of N-butyl-2,2-dichloro-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-butyl-2,2-dichloro-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide (CID 78868725) is N-butyl-2,2-dichloro-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-butyl-2,2-dichloro-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-butyl-2,2-dichloro-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide is CCCCN(CC(F)(F)F)C(=O)C1CC1(Cl)Cl.
What is the InChIKey of N-butyl-2,2-dichloro-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The InChIKey is AMJFKMIXLOJGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2F3NO/c1-2-3-4-16(6-10(13,14)15)8(17)7-5-9(7,11)12/h7H,2-6H2,1H3.
What are the key properties of N-butyl-2,2-dichloro-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
N-butyl-2,2-dichloro-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide has a molecular weight of 292.13 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,2-dichloro-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 78868725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).