N-methoxy-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide

C10H16F3NO2 — CID 78887822

IUPACN-methoxy-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCON(C)C(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H16F3NO2/c1-14(16-2)9(15)7-4-3-5-8(6-7)10(11,12)13/h7-8H,3-6H2,1-2H3
InChIKeyITNPKUYNWKBAAX-UHFFFAOYSA-N
MW239.24 g/mol
LogP2.37
Rot. Bonds2

About N-methoxy-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide

N-methoxy-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 78887822) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is N-methoxy-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID78887822
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC NameN-methoxy-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCON(C)C(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H16F3NO2/c1-14(16-2)9(15)7-4-3-5-8(6-7)10(11,12)13/h7-8H,3-6H2,1-2H3
InChIKeyITNPKUYNWKBAAX-UHFFFAOYSA-N
XLogP2.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 52.37
H-Bond Donors ≤ 50
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-methoxy-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-methoxy-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 78887822) is N-methoxy-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-methoxy-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-methoxy-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide is CON(C)C(=O)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-methoxy-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is ITNPKUYNWKBAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-14(16-2)9(15)7-4-3-5-8(6-7)10(11,12)13/h7-8H,3-6H2,1-2H3.
What are the key properties of N-methoxy-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-methoxy-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 239.24 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 78887822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).