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

C10H14Cl2F3NO — CID 78882931

IUPAC2,2-dichloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)C1CC1(Cl)Cl
InChIInChI=1S/C10H14Cl2F3NO/c1-6(2)4-16(5-10(13,14)15)8(17)7-3-9(7,11)12/h6-7H,3-5H2,1-2H3
InChIKeyNRJYHDLYCJWREI-UHFFFAOYSA-N
MW292.13 g/mol
LogP3.23
Rot. Bonds4

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

2,2-dichloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide (PubChem CID 78882931) has the molecular formula C10H14Cl2F3NO and a molecular weight of 292.13 g/mol. Its IUPAC name is 2,2-dichloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
PubChem CID78882931
Molecular FormulaC10H14Cl2F3NO
Molecular Weight292.13 g/mol
Exact Mass291.04
IUPAC Name2,2-dichloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)C1CC1(Cl)Cl
InChIInChI=1S/C10H14Cl2F3NO/c1-6(2)4-16(5-10(13,14)15)8(17)7-3-9(7,11)12/h6-7H,3-5H2,1-2H3
InChIKeyNRJYHDLYCJWREI-UHFFFAOYSA-N
XLogP3.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.13
LogP ≤ 53.23
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

3-chloro-N,N-diethyl-3,4,4,4-tetrafluoro-2-methylbutanamide
CID 177313187
N-methyl-N-(3,3,3-trifluoropropyl)cyclopropanecarboxamide
CID 61381425
4-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 63308002
2,2-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 78858761
2,2-dichloro-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 78865272
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
N-butyl-2,2-dichloro-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 78884120
2,2-dichloro-N-ethyl-N-methylcyclopropane-1-carboxamide
CID 123206805
2,2-dichloro-N,N-diethyl-1-methylcyclopropane-1-carboxamide
CID 78783668
N-butyl-2,2-dichloro-N-methylcyclopropane-1-carboxamide
CID 78833364
2,2-dichloro-N,N-diethylcyclopropane-1-carboxamide
CID 78833690

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide (CID 78882931) is 2,2-dichloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide is CC(C)CN(CC(F)(F)F)C(=O)C1CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The InChIKey is NRJYHDLYCJWREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2F3NO/c1-6(2)4-16(5-10(13,14)15)8(17)7-3-9(7,11)12/h6-7H,3-5H2,1-2H3.
What are the key properties of 2,2-dichloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
2,2-dichloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide has a molecular weight of 292.13 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 78882931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).