4-[2-[2,6-dimethyl-6-(trifluoromethyl)cyclohex-3-en-1-yl]ethyl]morpholine

C15H24F3NO — CID 57284599

IUPAC4-[2-[2,6-dimethyl-6-(trifluoromethyl)cyclohex-3-en-1-yl]ethyl]morpholine
SMILESCC1C=CCC(C)(C(F)(F)F)C1CCN1CCOCC1
InChIInChI=1S/C15H24F3NO/c1-12-4-3-6-14(2,15(16,17)18)13(12)5-7-19-8-10-20-11-9-19/h3-4,12-13H,5-11H2,1-2H3
InChIKeyWVKSWHZAGPCIMB-UHFFFAOYSA-N
MW291.36 g/mol
LogP3.49
Rot. Bonds3

About 4-[2-[2,6-dimethyl-6-(trifluoromethyl)cyclohex-3-en-1-yl]ethyl]morpholine

4-[2-[2,6-dimethyl-6-(trifluoromethyl)cyclohex-3-en-1-yl]ethyl]morpholine (PubChem CID 57284599) has the molecular formula C15H24F3NO and a molecular weight of 291.36 g/mol. Its IUPAC name is 4-[2-[2,6-dimethyl-6-(trifluoromethyl)cyclohex-3-en-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[2,6-dimethyl-6-(trifluoromethyl)cyclohex-3-en-1-yl]ethyl]morpholine
PubChem CID57284599
Molecular FormulaC15H24F3NO
Molecular Weight291.36 g/mol
Exact Mass291.18
IUPAC Name4-[2-[2,6-dimethyl-6-(trifluoromethyl)cyclohex-3-en-1-yl]ethyl]morpholine
SMILESCC1C=CCC(C)(C(F)(F)F)C1CCN1CCOCC1
InChIInChI=1S/C15H24F3NO/c1-12-4-3-6-14(2,15(16,17)18)13(12)5-7-19-8-10-20-11-9-19/h3-4,12-13H,5-11H2,1-2H3
InChIKeyWVKSWHZAGPCIMB-UHFFFAOYSA-N
XLogP3.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[2-[2,6-dimethyl-6-(trifluoromethyl)cyclohex-3-en-1-yl]ethyl]morpholine with MolForge

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Related Compounds

4-(3-Cyclohexen-1-ylmethyl)morpholine
CID 2849466
Morpholine, 4-[4-(1,1-dimethylethyl)-1-cyclohexen-1-yl]-
CID 11356517
6-Methyl-4-(morpholin-4-ylmethyl)-4-(trifluoromethyl)cyclohexene-1-carbonitrile
CID 57305440
4-[[(6S)-2-fluoro-6-methyl-5-propan-2-ylcyclohexa-1,3-dien-1-yl]methyl]morpholine
CID 71194659
4-[4-(Trifluoromethyl)cyclohexen-1-yl]morpholine
CID 171650147
4-[1-(4-Fluorocyclohexa-2,4-dien-1-yl)propyl]morpholine
CID 144553453
4-(3,5,5-Trimethylcyclohexen-1-yl)morpholine
CID 12725341
4-[(4-Tert-butylcyclopent-2-en-1-yl)methyl]morpholine
CID 58111118
4-[(4-Tert-butylcyclohex-3-en-1-yl)methyl]morpholine
CID 70309234
4-[(4-Ethylcyclopent-2-en-1-yl)methyl]morpholine
CID 88983640
4-(2-Cyclohex-2-en-1-ylethyl)morpholine
CID 91304165
4-(2-Cyclohex-3-en-1-ylethyl)morpholine
CID 121322295

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2,6-dimethyl-6-(trifluoromethyl)cyclohex-3-en-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[2,6-dimethyl-6-(trifluoromethyl)cyclohex-3-en-1-yl]ethyl]morpholine (CID 57284599) is 4-[2-[2,6-dimethyl-6-(trifluoromethyl)cyclohex-3-en-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[2,6-dimethyl-6-(trifluoromethyl)cyclohex-3-en-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[2,6-dimethyl-6-(trifluoromethyl)cyclohex-3-en-1-yl]ethyl]morpholine is CC1C=CCC(C)(C(F)(F)F)C1CCN1CCOCC1.
What is the InChIKey of 4-[2-[2,6-dimethyl-6-(trifluoromethyl)cyclohex-3-en-1-yl]ethyl]morpholine?
The InChIKey is WVKSWHZAGPCIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3NO/c1-12-4-3-6-14(2,15(16,17)18)13(12)5-7-19-8-10-20-11-9-19/h3-4,12-13H,5-11H2,1-2H3.
What are the key properties of 4-[2-[2,6-dimethyl-6-(trifluoromethyl)cyclohex-3-en-1-yl]ethyl]morpholine?
4-[2-[2,6-dimethyl-6-(trifluoromethyl)cyclohex-3-en-1-yl]ethyl]morpholine has a molecular weight of 291.36 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2,6-dimethyl-6-(trifluoromethyl)cyclohex-3-en-1-yl]ethyl]morpholine is sourced from PubChem (CID 57284599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).