2-cyano-N-[(4-ethenylcyclohexyl)methyl]-N-(2,2,2-trifluoroethyl)acetamide

C14H19F3N2O — CID 144531456

IUPAC2-cyano-N-[(4-ethenylcyclohexyl)methyl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESC=CC1CCC(CN(CC(F)(F)F)C(=O)CC#N)CC1
InChIInChI=1S/C14H19F3N2O/c1-2-11-3-5-12(6-4-11)9-19(10-14(15,16)17)13(20)7-8-18/h2,11-12H,1,3-7,9-10H2
InChIKeyVOGYIALUGHGDLO-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.28
Rot. Bonds5

About 2-cyano-N-[(4-ethenylcyclohexyl)methyl]-N-(2,2,2-trifluoroethyl)acetamide

2-cyano-N-[(4-ethenylcyclohexyl)methyl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 144531456) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-cyano-N-[(4-ethenylcyclohexyl)methyl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-[(4-ethenylcyclohexyl)methyl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID144531456
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name2-cyano-N-[(4-ethenylcyclohexyl)methyl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESC=CC1CCC(CN(CC(F)(F)F)C(=O)CC#N)CC1
InChIInChI=1S/C14H19F3N2O/c1-2-11-3-5-12(6-4-11)9-19(10-14(15,16)17)13(20)7-8-18/h2,11-12H,1,3-7,9-10H2
InChIKeyVOGYIALUGHGDLO-UHFFFAOYSA-N
XLogP3.28
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanoethyl)-N-(3,3,3-trifluoropropyl)cyclohex-3-ene-1-carboxamide
CID 71921831
(1S)-N-(2-cyanoethyl)-N-(3,3,3-trifluoropropyl)cyclohex-3-ene-1-carboxamide
CID 97053488
(1R)-N-(2-cyanoethyl)-N-(3,3,3-trifluoropropyl)cyclohex-3-ene-1-carboxamide
CID 97053489
4-Ethenyl-1-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrrolidin-2-one
CID 168685169

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(4-ethenylcyclohexyl)methyl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-cyano-N-[(4-ethenylcyclohexyl)methyl]-N-(2,2,2-trifluoroethyl)acetamide (CID 144531456) is 2-cyano-N-[(4-ethenylcyclohexyl)methyl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-cyano-N-[(4-ethenylcyclohexyl)methyl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-cyano-N-[(4-ethenylcyclohexyl)methyl]-N-(2,2,2-trifluoroethyl)acetamide is C=CC1CCC(CN(CC(F)(F)F)C(=O)CC#N)CC1.
What is the InChIKey of 2-cyano-N-[(4-ethenylcyclohexyl)methyl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is VOGYIALUGHGDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-2-11-3-5-12(6-4-11)9-19(10-14(15,16)17)13(20)7-8-18/h2,11-12H,1,3-7,9-10H2.
What are the key properties of 2-cyano-N-[(4-ethenylcyclohexyl)methyl]-N-(2,2,2-trifluoroethyl)acetamide?
2-cyano-N-[(4-ethenylcyclohexyl)methyl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 288.31 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(4-ethenylcyclohexyl)methyl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 144531456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).