N,N-dimethyl-3-(trifluoromethyl)cyclohexane-1-carboxamide

C10H16F3NO — CID 84583269

IUPACN,N-dimethyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCN(C)C(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H16F3NO/c1-14(2)9(15)7-4-3-5-8(6-7)10(11,12)13/h7-8H,3-6H2,1-2H3
InChIKeyMVRNCZJEDAJLJR-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.44
Rot. Bonds1

About N,N-dimethyl-3-(trifluoromethyl)cyclohexane-1-carboxamide

N,N-dimethyl-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 84583269) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is N,N-dimethyl-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID84583269
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC NameN,N-dimethyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCN(C)C(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H16F3NO/c1-14(2)9(15)7-4-3-5-8(6-7)10(11,12)13/h7-8H,3-6H2,1-2H3
InChIKeyMVRNCZJEDAJLJR-UHFFFAOYSA-N
XLogP2.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N,N-dimethyl-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 84583269) is N,N-dimethyl-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N,N-dimethyl-3-(trifluoromethyl)cyclohexane-1-carboxamide is CN(C)C(=O)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N,N-dimethyl-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is MVRNCZJEDAJLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c1-14(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,N-dimethyl-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N,N-dimethyl-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 223.24 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 84583269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).