N-(2-chloropropyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide

C12H19ClF3NO — CID 113434014

IUPACN-(2-chloropropyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC(Cl)CN(C)C(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C12H19ClF3NO/c1-8(13)7-17(2)11(18)9-5-3-4-6-10(9)12(14,15)16/h8-10H,3-7H2,1-2H3
InChIKeyUJYRYIUUAOLKAC-UHFFFAOYSA-N
MW285.74 g/mol
LogP3.44
Rot. Bonds3

About N-(2-chloropropyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-(2-chloropropyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 113434014) has the molecular formula C12H19ClF3NO and a molecular weight of 285.74 g/mol. Its IUPAC name is N-(2-chloropropyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloropropyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID113434014
Molecular FormulaC12H19ClF3NO
Molecular Weight285.74 g/mol
Exact Mass285.11
IUPAC NameN-(2-chloropropyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC(Cl)CN(C)C(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C12H19ClF3NO/c1-8(13)7-17(2)11(18)9-5-3-4-6-10(9)12(14,15)16/h8-10H,3-7H2,1-2H3
InChIKeyUJYRYIUUAOLKAC-UHFFFAOYSA-N
XLogP3.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.74
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloropropyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(2-chloropropyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 113434014) is N-(2-chloropropyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-chloropropyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(2-chloropropyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide is CC(Cl)CN(C)C(=O)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-(2-chloropropyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is UJYRYIUUAOLKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClF3NO/c1-8(13)7-17(2)11(18)9-5-3-4-6-10(9)12(14,15)16/h8-10H,3-7H2,1-2H3.
What are the key properties of N-(2-chloropropyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(2-chloropropyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 285.74 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropropyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 113434014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).