N,6-dimethyl-3-(trifluoromethyl)cyclohexene-1-carboxamide

C10H14F3NO — CID 159188210

IUPACN,6-dimethyl-3-(trifluoromethyl)cyclohexene-1-carboxamide
SMILESCNC(=O)C1=CC(C(F)(F)F)CCC1C
InChIInChI=1S/C10H14F3NO/c1-6-3-4-7(10(11,12)13)5-8(6)9(15)14-2/h5-7H,3-4H2,1-2H3,(H,14,15)
InChIKeyKNTHZRCWSGQQMT-UHFFFAOYSA-N
MW221.22 g/mol
LogP2.27
Rot. Bonds1

About N,6-dimethyl-3-(trifluoromethyl)cyclohexene-1-carboxamide

N,6-dimethyl-3-(trifluoromethyl)cyclohexene-1-carboxamide (PubChem CID 159188210) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is N,6-dimethyl-3-(trifluoromethyl)cyclohexene-1-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-3-(trifluoromethyl)cyclohexene-1-carboxamide
PubChem CID159188210
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC NameN,6-dimethyl-3-(trifluoromethyl)cyclohexene-1-carboxamide
SMILESCNC(=O)C1=CC(C(F)(F)F)CCC1C
InChIInChI=1S/C10H14F3NO/c1-6-3-4-7(10(11,12)13)5-8(6)9(15)14-2/h5-7H,3-4H2,1-2H3,(H,14,15)
InChIKeyKNTHZRCWSGQQMT-UHFFFAOYSA-N
XLogP2.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-3-(trifluoromethyl)cyclohexene-1-carboxamide?
The IUPAC name of N,6-dimethyl-3-(trifluoromethyl)cyclohexene-1-carboxamide (CID 159188210) is N,6-dimethyl-3-(trifluoromethyl)cyclohexene-1-carboxamide.
What is the SMILES notation for N,6-dimethyl-3-(trifluoromethyl)cyclohexene-1-carboxamide?
The canonical SMILES for N,6-dimethyl-3-(trifluoromethyl)cyclohexene-1-carboxamide is CNC(=O)C1=CC(C(F)(F)F)CCC1C.
What is the InChIKey of N,6-dimethyl-3-(trifluoromethyl)cyclohexene-1-carboxamide?
The InChIKey is KNTHZRCWSGQQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO/c1-6-3-4-7(10(11,12)13)5-8(6)9(15)14-2/h5-7H,3-4H2,1-2H3,(H,14,15).
What are the key properties of N,6-dimethyl-3-(trifluoromethyl)cyclohexene-1-carboxamide?
N,6-dimethyl-3-(trifluoromethyl)cyclohexene-1-carboxamide has a molecular weight of 221.22 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-3-(trifluoromethyl)cyclohexene-1-carboxamide is sourced from PubChem (CID 159188210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).