4-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]morpholine

C11H14F3NO — CID 173053695

IUPAC4-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]morpholine
SMILESFC(F)(F)C1=CC(N2CCOCC2)=CCC1
InChIInChI=1S/C11H14F3NO/c12-11(13,14)9-2-1-3-10(8-9)15-4-6-16-7-5-15/h3,8H,1-2,4-7H2
InChIKeyCRVCEWZUSFAYPI-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.48
Rot. Bonds1

About 4-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]morpholine

4-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]morpholine (PubChem CID 173053695) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 4-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]morpholine.

Molecular Properties

Compound Name4-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]morpholine
PubChem CID173053695
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name4-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]morpholine
SMILESFC(F)(F)C1=CC(N2CCOCC2)=CCC1
InChIInChI=1S/C11H14F3NO/c12-11(13,14)9-2-1-3-10(8-9)15-4-6-16-7-5-15/h3,8H,1-2,4-7H2
InChIKeyCRVCEWZUSFAYPI-UHFFFAOYSA-N
XLogP2.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]morpholine?
The IUPAC name of 4-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]morpholine (CID 173053695) is 4-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]morpholine.
What is the SMILES notation for 4-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]morpholine?
The canonical SMILES for 4-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]morpholine is FC(F)(F)C1=CC(N2CCOCC2)=CCC1.
What is the InChIKey of 4-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]morpholine?
The InChIKey is CRVCEWZUSFAYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c12-11(13,14)9-2-1-3-10(8-9)15-4-6-16-7-5-15/h3,8H,1-2,4-7H2.
What are the key properties of 4-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]morpholine?
4-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]morpholine has a molecular weight of 233.23 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]morpholine is sourced from PubChem (CID 173053695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).