N-(2-cyanoethyl)-2-(cyclohexen-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

C13H17F3N2O — CID 71863203

IUPACN-(2-cyanoethyl)-2-(cyclohexen-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESN#CCCN(CC(F)(F)F)C(=O)CC1=CCCCC1
InChIInChI=1S/C13H17F3N2O/c14-13(15,16)10-18(8-4-7-17)12(19)9-11-5-2-1-3-6-11/h5H,1-4,6,8-10H2
InChIKeyTYUQKSCDCOQMLD-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.18
Rot. Bonds5

About N-(2-cyanoethyl)-2-(cyclohexen-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

N-(2-cyanoethyl)-2-(cyclohexen-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 71863203) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(cyclohexen-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(cyclohexen-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID71863203
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC NameN-(2-cyanoethyl)-2-(cyclohexen-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESN#CCCN(CC(F)(F)F)C(=O)CC1=CCCCC1
InChIInChI=1S/C13H17F3N2O/c14-13(15,16)10-18(8-4-7-17)12(19)9-11-5-2-1-3-6-11/h5H,1-4,6,8-10H2
InChIKeyTYUQKSCDCOQMLD-UHFFFAOYSA-N
XLogP3.18
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(cyclohexen-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(cyclohexen-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 71863203) is N-(2-cyanoethyl)-2-(cyclohexen-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(cyclohexen-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(cyclohexen-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is N#CCCN(CC(F)(F)F)C(=O)CC1=CCCCC1.
What is the InChIKey of N-(2-cyanoethyl)-2-(cyclohexen-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is TYUQKSCDCOQMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c14-13(15,16)10-18(8-4-7-17)12(19)9-11-5-2-1-3-6-11/h5H,1-4,6,8-10H2.
What are the key properties of N-(2-cyanoethyl)-2-(cyclohexen-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
N-(2-cyanoethyl)-2-(cyclohexen-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 274.29 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(cyclohexen-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 71863203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).