N-[2-(cyclohexen-1-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide

C12H19F3N2O — CID 78914774

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NCCC1=CCCCC1
InChIInChI=1S/C12H19F3N2O/c13-12(14,15)9-16-8-11(18)17-7-6-10-4-2-1-3-5-10/h4,16H,1-3,5-9H2,(H,17,18)
InChIKeyHTNQMMBFABTMBF-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.14
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78914774) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78914774
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NCCC1=CCCCC1
InChIInChI=1S/C12H19F3N2O/c13-12(14,15)9-16-8-11(18)17-7-6-10-4-2-1-3-5-10/h4,16H,1-3,5-9H2,(H,17,18)
InChIKeyHTNQMMBFABTMBF-UHFFFAOYSA-N
XLogP2.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.14
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 N-[2-(cyclohexen-1-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 78914774) is N-[2-(cyclohexen-1-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is HTNQMMBFABTMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c13-12(14,15)9-16-8-11(18)17-7-6-10-4-2-1-3-5-10/h4,16H,1-3,5-9H2,(H,17,18).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 264.29 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78914774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).