2-(cyclohex-3-en-1-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide

C11H17F3N2O — CID 60957689

IUPAC2-(cyclohex-3-en-1-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCC1CC=CCC1)NCC(F)(F)F
InChIInChI=1S/C11H17F3N2O/c12-11(13,14)8-16-10(17)7-15-6-9-4-2-1-3-5-9/h1-2,9,15H,3-8H2,(H,16,17)
InChIKeyOUJBHCCOZSMHDV-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.61
Rot. Bonds5

About 2-(cyclohex-3-en-1-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide

2-(cyclohex-3-en-1-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60957689) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-(cyclohex-3-en-1-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(cyclohex-3-en-1-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60957689
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name2-(cyclohex-3-en-1-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCC1CC=CCC1)NCC(F)(F)F
InChIInChI=1S/C11H17F3N2O/c12-11(13,14)8-16-10(17)7-15-6-9-4-2-1-3-5-9/h1-2,9,15H,3-8H2,(H,16,17)
InChIKeyOUJBHCCOZSMHDV-UHFFFAOYSA-N
XLogP1.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.61
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-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(cyclohex-3-en-1-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide (CID 60957689) is 2-(cyclohex-3-en-1-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(cyclohex-3-en-1-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(cyclohex-3-en-1-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CNCC1CC=CCC1)NCC(F)(F)F.
What is the InChIKey of 2-(cyclohex-3-en-1-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is OUJBHCCOZSMHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c12-11(13,14)8-16-10(17)7-15-6-9-4-2-1-3-5-9/h1-2,9,15H,3-8H2,(H,16,17).
What are the key properties of 2-(cyclohex-3-en-1-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
2-(cyclohex-3-en-1-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 250.26 g/mol, XLogP of 1.61, 5 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-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60957689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).