4-[(E)-4-cyclohexyl-1,1,1-trifluorobut-2-en-2-yl]morpholine

C14H22F3NO — CID 11011292

IUPAC4-[(E)-4-cyclohexyl-1,1,1-trifluorobut-2-en-2-yl]morpholine
SMILESFC(F)(F)/C(=C\CC1CCCCC1)N1CCOCC1
InChIInChI=1S/C14H22F3NO/c15-14(16,17)13(18-8-10-19-11-9-18)7-6-12-4-2-1-3-5-12/h7,12H,1-6,8-11H2/b13-7+
InChIKeyGGODQBKLGJYHFL-NTUHNPAUSA-N
MW277.33 g/mol
LogP3.74
Rot. Bonds3

About 4-[(E)-4-cyclohexyl-1,1,1-trifluorobut-2-en-2-yl]morpholine

4-[(E)-4-cyclohexyl-1,1,1-trifluorobut-2-en-2-yl]morpholine (PubChem CID 11011292) has the molecular formula C14H22F3NO and a molecular weight of 277.33 g/mol. Its IUPAC name is 4-[(E)-4-cyclohexyl-1,1,1-trifluorobut-2-en-2-yl]morpholine.

Molecular Properties

Compound Name4-[(E)-4-cyclohexyl-1,1,1-trifluorobut-2-en-2-yl]morpholine
PubChem CID11011292
Molecular FormulaC14H22F3NO
Molecular Weight277.33 g/mol
Exact Mass277.17
IUPAC Name4-[(E)-4-cyclohexyl-1,1,1-trifluorobut-2-en-2-yl]morpholine
SMILESFC(F)(F)/C(=C\CC1CCCCC1)N1CCOCC1
InChIInChI=1S/C14H22F3NO/c15-14(16,17)13(18-8-10-19-11-9-18)7-6-12-4-2-1-3-5-12/h7,12H,1-6,8-11H2/b13-7+
InChIKeyGGODQBKLGJYHFL-NTUHNPAUSA-N
XLogP3.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-4-cyclohexyl-1,1,1-trifluorobut-2-en-2-yl]morpholine?
The IUPAC name of 4-[(E)-4-cyclohexyl-1,1,1-trifluorobut-2-en-2-yl]morpholine (CID 11011292) is 4-[(E)-4-cyclohexyl-1,1,1-trifluorobut-2-en-2-yl]morpholine.
What is the SMILES notation for 4-[(E)-4-cyclohexyl-1,1,1-trifluorobut-2-en-2-yl]morpholine?
The canonical SMILES for 4-[(E)-4-cyclohexyl-1,1,1-trifluorobut-2-en-2-yl]morpholine is FC(F)(F)/C(=C\CC1CCCCC1)N1CCOCC1.
What is the InChIKey of 4-[(E)-4-cyclohexyl-1,1,1-trifluorobut-2-en-2-yl]morpholine?
The InChIKey is GGODQBKLGJYHFL-NTUHNPAUSA-N. The full InChI is InChI=1S/C14H22F3NO/c15-14(16,17)13(18-8-10-19-11-9-18)7-6-12-4-2-1-3-5-12/h7,12H,1-6,8-11H2/b13-7+.
What are the key properties of 4-[(E)-4-cyclohexyl-1,1,1-trifluorobut-2-en-2-yl]morpholine?
4-[(E)-4-cyclohexyl-1,1,1-trifluorobut-2-en-2-yl]morpholine has a molecular weight of 277.33 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-4-cyclohexyl-1,1,1-trifluorobut-2-en-2-yl]morpholine is sourced from PubChem (CID 11011292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).