2-cyclohexyl-4,4,4-trifluorobut-2-enamide

C10H14F3NO — CID 174986521

IUPAC2-cyclohexyl-4,4,4-trifluorobut-2-enamide
SMILESNC(=O)C(=CC(F)(F)F)C1CCCCC1
InChIInChI=1S/C10H14F3NO/c11-10(12,13)6-8(9(14)15)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,14,15)
InChIKeyUUUXKYXRSGFNML-UHFFFAOYSA-N
MW221.22 g/mol
LogP2.54
Rot. Bonds2

About 2-cyclohexyl-4,4,4-trifluorobut-2-enamide

2-cyclohexyl-4,4,4-trifluorobut-2-enamide (PubChem CID 174986521) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is 2-cyclohexyl-4,4,4-trifluorobut-2-enamide.

Molecular Properties

Compound Name2-cyclohexyl-4,4,4-trifluorobut-2-enamide
PubChem CID174986521
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC Name2-cyclohexyl-4,4,4-trifluorobut-2-enamide
SMILESNC(=O)C(=CC(F)(F)F)C1CCCCC1
InChIInChI=1S/C10H14F3NO/c11-10(12,13)6-8(9(14)15)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,14,15)
InChIKeyUUUXKYXRSGFNML-UHFFFAOYSA-N
XLogP2.54
TPSA43.09 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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(S)-2,2-difluoro-4-(4-methyl-5-oxocyclohex-3-en-1-yl)pent-4-enamide
CID 168720282
5,6-Diethyl-4,5-difluorocyclohexa-1,3-diene-1-carboxamide
CID 69287101
6-Cyclohexyl-5-methyl-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
CID 69938220
4,4-Difluorocyclohexene-1-carboxamide
CID 89312681
4-Cyclohexyl-3-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
CID 89733554
4-Iodo-6-(trifluoromethyl)cyclohexene-1-carboxamide
CID 134379636
4-(Trifluoromethyl)cyclohexene-1-carbonyl azide
CID 141819140
5-Cyclopropyl-4,5-difluorocyclohexa-1,3-diene-1-carboxamide
CID 142788435
5-Methyl-7-(trifluoromethyl)cyclohepta-1,4-diene-1-carboxamide
CID 164094127
6-Butyl-4,5-difluoro-5-methylcyclohexa-1,3-diene-1-carboxamide
CID 174615306
2,2-Difluoro-4-(4-methyl-5-oxocyclohex-3-en-1-yl)pent-4-enamide
CID 175486178
4-Prop-1-en-2-ylcyclohexene-1-carboxamide
CID 10103498

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4,4,4-trifluorobut-2-enamide?
The IUPAC name of 2-cyclohexyl-4,4,4-trifluorobut-2-enamide (CID 174986521) is 2-cyclohexyl-4,4,4-trifluorobut-2-enamide.
What is the SMILES notation for 2-cyclohexyl-4,4,4-trifluorobut-2-enamide?
The canonical SMILES for 2-cyclohexyl-4,4,4-trifluorobut-2-enamide is NC(=O)C(=CC(F)(F)F)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-4,4,4-trifluorobut-2-enamide?
The InChIKey is UUUXKYXRSGFNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO/c11-10(12,13)6-8(9(14)15)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,14,15).
What are the key properties of 2-cyclohexyl-4,4,4-trifluorobut-2-enamide?
2-cyclohexyl-4,4,4-trifluorobut-2-enamide has a molecular weight of 221.22 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4,4,4-trifluorobut-2-enamide is sourced from PubChem (CID 174986521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).