N-(2-methylpropoxy)-4-(trifluoromethyl)cyclohexane-1-carboxamide

C12H20F3NO2 — CID 82721720

IUPACN-(2-methylpropoxy)-4-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC(C)CONC(=O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H20F3NO2/c1-8(2)7-18-16-11(17)9-3-5-10(6-4-9)12(13,14)15/h8-10H,3-7H2,1-2H3,(H,16,17)
InChIKeyFKGBMXAWJZRQBO-UHFFFAOYSA-N
MW267.29 g/mol
LogP3.06
Rot. Bonds4

About N-(2-methylpropoxy)-4-(trifluoromethyl)cyclohexane-1-carboxamide

N-(2-methylpropoxy)-4-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 82721720) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-(2-methylpropoxy)-4-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropoxy)-4-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID82721720
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC NameN-(2-methylpropoxy)-4-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC(C)CONC(=O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H20F3NO2/c1-8(2)7-18-16-11(17)9-3-5-10(6-4-9)12(13,14)15/h8-10H,3-7H2,1-2H3,(H,16,17)
InChIKeyFKGBMXAWJZRQBO-UHFFFAOYSA-N
XLogP3.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropoxy)-4-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(2-methylpropoxy)-4-(trifluoromethyl)cyclohexane-1-carboxamide (CID 82721720) is N-(2-methylpropoxy)-4-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-methylpropoxy)-4-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(2-methylpropoxy)-4-(trifluoromethyl)cyclohexane-1-carboxamide is CC(C)CONC(=O)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-(2-methylpropoxy)-4-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is FKGBMXAWJZRQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-8(2)7-18-16-11(17)9-3-5-10(6-4-9)12(13,14)15/h8-10H,3-7H2,1-2H3,(H,16,17).
What are the key properties of N-(2-methylpropoxy)-4-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(2-methylpropoxy)-4-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropoxy)-4-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 82721720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).