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

C11H16Cl2F3NO — CID 78884120

IUPACN-butyl-2,2-dichloro-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)C1(C)CC1(Cl)Cl
InChIInChI=1S/C11H16Cl2F3NO/c1-3-4-5-17(7-11(14,15)16)8(18)9(2)6-10(9,12)13/h3-7H2,1-2H3
InChIKeyYWVSJEDZKYVIQN-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.76
Rot. Bonds5

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

N-butyl-2,2-dichloro-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide (PubChem CID 78884120) has the molecular formula C11H16Cl2F3NO and a molecular weight of 306.16 g/mol. Its IUPAC name is N-butyl-2,2-dichloro-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-butyl-2,2-dichloro-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
PubChem CID78884120
Molecular FormulaC11H16Cl2F3NO
Molecular Weight306.16 g/mol
Exact Mass305.06
IUPAC NameN-butyl-2,2-dichloro-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)C1(C)CC1(Cl)Cl
InChIInChI=1S/C11H16Cl2F3NO/c1-3-4-5-17(7-11(14,15)16)8(18)9(2)6-10(9,12)13/h3-7H2,1-2H3
InChIKeyYWVSJEDZKYVIQN-UHFFFAOYSA-N
XLogP3.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.76
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
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
2,2-dichloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 78882931
(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
2,2-dichloro-N-(cyclopropylmethyl)-1-methyl-N-propylcyclopropane-1-carboxamide
CID 78786081

Frequently Asked Questions

What is the IUPAC name of N-butyl-2,2-dichloro-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-butyl-2,2-dichloro-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide (CID 78884120) is N-butyl-2,2-dichloro-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-butyl-2,2-dichloro-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-butyl-2,2-dichloro-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide is CCCCN(CC(F)(F)F)C(=O)C1(C)CC1(Cl)Cl.
What is the InChIKey of N-butyl-2,2-dichloro-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The InChIKey is YWVSJEDZKYVIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2F3NO/c1-3-4-5-17(7-11(14,15)16)8(18)9(2)6-10(9,12)13/h3-7H2,1-2H3.
What are the key properties of N-butyl-2,2-dichloro-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
N-butyl-2,2-dichloro-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide has a molecular weight of 306.16 g/mol, XLogP of 3.76, 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-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 78884120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).