2-cyclohex-3-en-1-yl-2-(2,2,2-trifluoroethylamino)acetamide

C10H15F3N2O — CID 60997470

IUPAC2-cyclohex-3-en-1-yl-2-(2,2,2-trifluoroethylamino)acetamide
SMILESNC(=O)C(NCC(F)(F)F)C1CC=CCC1
InChIInChI=1S/C10H15F3N2O/c11-10(12,13)6-15-8(9(14)16)7-4-2-1-3-5-7/h1-2,7-8,15H,3-6H2,(H2,14,16)
InChIKeyAQQSQMZIRBZEMT-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.35
Rot. Bonds4

About 2-cyclohex-3-en-1-yl-2-(2,2,2-trifluoroethylamino)acetamide

2-cyclohex-3-en-1-yl-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 60997470) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 2-cyclohex-3-en-1-yl-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound Name2-cyclohex-3-en-1-yl-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID60997470
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name2-cyclohex-3-en-1-yl-2-(2,2,2-trifluoroethylamino)acetamide
SMILESNC(=O)C(NCC(F)(F)F)C1CC=CCC1
InChIInChI=1S/C10H15F3N2O/c11-10(12,13)6-15-8(9(14)16)7-4-2-1-3-5-7/h1-2,7-8,15H,3-6H2,(H2,14,16)
InChIKeyAQQSQMZIRBZEMT-UHFFFAOYSA-N
XLogP1.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.35
H-Bond Donors ≤ 52
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 2-cyclohex-3-en-1-yl-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of 2-cyclohex-3-en-1-yl-2-(2,2,2-trifluoroethylamino)acetamide (CID 60997470) is 2-cyclohex-3-en-1-yl-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for 2-cyclohex-3-en-1-yl-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for 2-cyclohex-3-en-1-yl-2-(2,2,2-trifluoroethylamino)acetamide is NC(=O)C(NCC(F)(F)F)C1CC=CCC1.
What is the InChIKey of 2-cyclohex-3-en-1-yl-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is AQQSQMZIRBZEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c11-10(12,13)6-15-8(9(14)16)7-4-2-1-3-5-7/h1-2,7-8,15H,3-6H2,(H2,14,16).
What are the key properties of 2-cyclohex-3-en-1-yl-2-(2,2,2-trifluoroethylamino)acetamide?
2-cyclohex-3-en-1-yl-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 236.24 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-3-en-1-yl-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 60997470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).