4-methyl-N-(2,2,2-trifluoroethoxy)cyclohexane-1-carboxamide

C10H16F3NO2 — CID 81339919

IUPAC4-methyl-N-(2,2,2-trifluoroethoxy)cyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NOCC(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO2/c1-7-2-4-8(5-3-7)9(15)14-16-6-10(11,12)13/h7-8H,2-6H2,1H3,(H,14,15)
InChIKeySXPSFRJCZMLWQL-UHFFFAOYSA-N
MW239.24 g/mol
LogP2.42
Rot. Bonds3

About 4-methyl-N-(2,2,2-trifluoroethoxy)cyclohexane-1-carboxamide

4-methyl-N-(2,2,2-trifluoroethoxy)cyclohexane-1-carboxamide (PubChem CID 81339919) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 4-methyl-N-(2,2,2-trifluoroethoxy)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2,2,2-trifluoroethoxy)cyclohexane-1-carboxamide
PubChem CID81339919
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name4-methyl-N-(2,2,2-trifluoroethoxy)cyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NOCC(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO2/c1-7-2-4-8(5-3-7)9(15)14-16-6-10(11,12)13/h7-8H,2-6H2,1H3,(H,14,15)
InChIKeySXPSFRJCZMLWQL-UHFFFAOYSA-N
XLogP2.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 52.42
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 4-methyl-N-(2,2,2-trifluoroethoxy)cyclohexane-1-carboxamide?
The IUPAC name of 4-methyl-N-(2,2,2-trifluoroethoxy)cyclohexane-1-carboxamide (CID 81339919) is 4-methyl-N-(2,2,2-trifluoroethoxy)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-methyl-N-(2,2,2-trifluoroethoxy)cyclohexane-1-carboxamide?
The canonical SMILES for 4-methyl-N-(2,2,2-trifluoroethoxy)cyclohexane-1-carboxamide is CC1CCC(C(=O)NOCC(F)(F)F)CC1.
What is the InChIKey of 4-methyl-N-(2,2,2-trifluoroethoxy)cyclohexane-1-carboxamide?
The InChIKey is SXPSFRJCZMLWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-7-2-4-8(5-3-7)9(15)14-16-6-10(11,12)13/h7-8H,2-6H2,1H3,(H,14,15).
What are the key properties of 4-methyl-N-(2,2,2-trifluoroethoxy)cyclohexane-1-carboxamide?
4-methyl-N-(2,2,2-trifluoroethoxy)cyclohexane-1-carboxamide has a molecular weight of 239.24 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2,2,2-trifluoroethoxy)cyclohexane-1-carboxamide is sourced from PubChem (CID 81339919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).