4-methylidene-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

C10H14F3NO — CID 91223950

IUPAC4-methylidene-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESC=C1CCC(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C10H14F3NO/c1-7-2-4-8(5-3-7)9(15)14-6-10(11,12)13/h8H,1-6H2,(H,14,15)
InChIKeyJDPCYNXIQQXAKZ-UHFFFAOYSA-N
MW221.22 g/mol
LogP2.41
Rot. Bonds2

About 4-methylidene-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

4-methylidene-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (PubChem CID 91223950) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is 4-methylidene-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-methylidene-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
PubChem CID91223950
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC Name4-methylidene-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESC=C1CCC(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C10H14F3NO/c1-7-2-4-8(5-3-7)9(15)14-6-10(11,12)13/h8H,1-6H2,(H,14,15)
InChIKeyJDPCYNXIQQXAKZ-UHFFFAOYSA-N
XLogP2.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide
CID 89487170
2-fluoro-N-methyl-4-methylidenecyclohexane-1-carboxamide
CID 91497194
2,3,3,4,4,5,5,6,6,7,7,8,8,8-tetradecafluoro-2-(1-fluoroprop-2-enyl)-N-prop-2-enyloctanamide
CID 123273742
trans-(1R,2R)-N-(cyanomethyl)-5,5-difluoro-2-prop-1-en-2-ylcyclohexane-1-carboxamide
CID 142979898
N-(4-fluoropent-4-en-2-yl)cyclohexanecarboxamide
CID 167232804
N-[(E)-4,4,4-trifluorobut-2-enyl]cyclohexanecarboxamide
CID 169226618
N-[(Z)-4,4,4-trifluorobut-2-enyl]cyclohexanecarboxamide
CID 169226634
N-(1,4,4-trifluorobut-2-enyl)cyclohexanecarboxamide
CID 175473621
N-[2-(cyclohexen-1-yl)ethyl]-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide
CID 4066063
N-ethyl-4,4-difluorocyclohexane-1-carboxamide
CID 81932565
N-prop-2-enyl-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932567
4,4-difluoro-N-prop-2-enylcyclohexane-1-carboxamide
CID 81932603

Frequently Asked Questions

What is the IUPAC name of 4-methylidene-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-methylidene-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (CID 91223950) is 4-methylidene-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-methylidene-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-methylidene-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is C=C1CCC(C(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 4-methylidene-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The InChIKey is JDPCYNXIQQXAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO/c1-7-2-4-8(5-3-7)9(15)14-6-10(11,12)13/h8H,1-6H2,(H,14,15).
What are the key properties of 4-methylidene-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
4-methylidene-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide has a molecular weight of 221.22 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 91223950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).