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

C11H16Cl2F3NO — CID 78882906

IUPAC2,2-dichloro-1-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)C1(C)CC1(Cl)Cl
InChIInChI=1S/C11H16Cl2F3NO/c1-7(2)4-17(6-11(14,15)16)8(18)9(3)5-10(9,12)13/h7H,4-6H2,1-3H3
InChIKeyZAULZMPEFAFADJ-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.62
Rot. Bonds4

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

2,2-dichloro-1-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide (PubChem CID 78882906) has the molecular formula C11H16Cl2F3NO and a molecular weight of 306.16 g/mol. Its IUPAC name is 2,2-dichloro-1-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-1-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
PubChem CID78882906
Molecular FormulaC11H16Cl2F3NO
Molecular Weight306.16 g/mol
Exact Mass305.06
IUPAC Name2,2-dichloro-1-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)C1(C)CC1(Cl)Cl
InChIInChI=1S/C11H16Cl2F3NO/c1-7(2)4-17(6-11(14,15)16)8(18)9(3)5-10(9,12)13/h7H,4-6H2,1-3H3
InChIKeyZAULZMPEFAFADJ-UHFFFAOYSA-N
XLogP3.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.62
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

2,2-dichloro-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 45840375
(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
4-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 55204446
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-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-N,N-diethyl-1-methylcyclopropane-1-carboxamide
CID 78783668
2,2-dichloro-1-methyl-N,N-dipropylcyclopropane-1-carboxamide
CID 78784669

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-1-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide (CID 78882906) is 2,2-dichloro-1-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-1-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-1-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide is CC(C)CN(CC(F)(F)F)C(=O)C1(C)CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-1-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The InChIKey is ZAULZMPEFAFADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2F3NO/c1-7(2)4-17(6-11(14,15)16)8(18)9(3)5-10(9,12)13/h7H,4-6H2,1-3H3.
What are the key properties of 2,2-dichloro-1-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
2,2-dichloro-1-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide has a molecular weight of 306.16 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 78882906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).