4-(cyclohexen-1-yl)-2,6-bis(trifluoromethyl)morpholine

C12H15F6NO — CID 152896447

IUPAC4-(cyclohexen-1-yl)-2,6-bis(trifluoromethyl)morpholine
SMILESFC(F)(F)C1CN(C2=CCCCC2)CC(C(F)(F)F)O1
InChIInChI=1S/C12H15F6NO/c13-11(14,15)9-6-19(8-4-2-1-3-5-8)7-10(20-9)12(16,17)18/h4,9-10H,1-3,5-7H2
InChIKeyUEMBQAXZJJGGMN-UHFFFAOYSA-N
MW303.25 g/mol
LogP3.64
Rot. Bonds1

About 4-(cyclohexen-1-yl)-2,6-bis(trifluoromethyl)morpholine

4-(cyclohexen-1-yl)-2,6-bis(trifluoromethyl)morpholine (PubChem CID 152896447) has the molecular formula C12H15F6NO and a molecular weight of 303.25 g/mol. Its IUPAC name is 4-(cyclohexen-1-yl)-2,6-bis(trifluoromethyl)morpholine.

Molecular Properties

Compound Name4-(cyclohexen-1-yl)-2,6-bis(trifluoromethyl)morpholine
PubChem CID152896447
Molecular FormulaC12H15F6NO
Molecular Weight303.25 g/mol
Exact Mass303.11
IUPAC Name4-(cyclohexen-1-yl)-2,6-bis(trifluoromethyl)morpholine
SMILESFC(F)(F)C1CN(C2=CCCCC2)CC(C(F)(F)F)O1
InChIInChI=1S/C12H15F6NO/c13-11(14,15)9-6-19(8-4-2-1-3-5-8)7-10(20-9)12(16,17)18/h4,9-10H,1-3,5-7H2
InChIKeyUEMBQAXZJJGGMN-UHFFFAOYSA-N
XLogP3.64
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.25
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexen-1-yl)-2,6-bis(trifluoromethyl)morpholine?
The IUPAC name of 4-(cyclohexen-1-yl)-2,6-bis(trifluoromethyl)morpholine (CID 152896447) is 4-(cyclohexen-1-yl)-2,6-bis(trifluoromethyl)morpholine.
What is the SMILES notation for 4-(cyclohexen-1-yl)-2,6-bis(trifluoromethyl)morpholine?
The canonical SMILES for 4-(cyclohexen-1-yl)-2,6-bis(trifluoromethyl)morpholine is FC(F)(F)C1CN(C2=CCCCC2)CC(C(F)(F)F)O1.
What is the InChIKey of 4-(cyclohexen-1-yl)-2,6-bis(trifluoromethyl)morpholine?
The InChIKey is UEMBQAXZJJGGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F6NO/c13-11(14,15)9-6-19(8-4-2-1-3-5-8)7-10(20-9)12(16,17)18/h4,9-10H,1-3,5-7H2.
What are the key properties of 4-(cyclohexen-1-yl)-2,6-bis(trifluoromethyl)morpholine?
4-(cyclohexen-1-yl)-2,6-bis(trifluoromethyl)morpholine has a molecular weight of 303.25 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexen-1-yl)-2,6-bis(trifluoromethyl)morpholine is sourced from PubChem (CID 152896447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).