ethane;4-(5-ethyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)morpholine;hydrofluoride

C15H26FNO — CID 143502148

IUPACethane;4-(5-ethyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)morpholine;hydrofluoride
SMILESCC.CCC1=CC(N2CCOCC2)=CC2CC12.F
InChIInChI=1S/C13H19NO.C2H6.FH/c1-2-10-7-12(8-11-9-13(10)11)14-3-5-15-6-4-14;1-2;/h7-8,11,13H,2-6,9H2,1H3;1-2H3;1H
InChIKeyCPERZCFBQUPRCG-UHFFFAOYSA-N
MW255.38 g/mol
LogP3.37
Rot. Bonds2

About ethane;4-(5-ethyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)morpholine;hydrofluoride

ethane;4-(5-ethyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)morpholine;hydrofluoride (PubChem CID 143502148) has the molecular formula C15H26FNO and a molecular weight of 255.38 g/mol. Its IUPAC name is ethane;4-(5-ethyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)morpholine;hydrofluoride.

Molecular Properties

Compound Nameethane;4-(5-ethyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)morpholine;hydrofluoride
PubChem CID143502148
Molecular FormulaC15H26FNO
Molecular Weight255.38 g/mol
Exact Mass255.20
IUPAC Nameethane;4-(5-ethyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)morpholine;hydrofluoride
SMILESCC.CCC1=CC(N2CCOCC2)=CC2CC12.F
InChIInChI=1S/C13H19NO.C2H6.FH/c1-2-10-7-12(8-11-9-13(10)11)14-3-5-15-6-4-14;1-2;/h7-8,11,13H,2-6,9H2,1H3;1-2H3;1H
InChIKeyCPERZCFBQUPRCG-UHFFFAOYSA-N
XLogP3.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-(5-ethyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)morpholine;hydrofluoride?
The IUPAC name of ethane;4-(5-ethyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)morpholine;hydrofluoride (CID 143502148) is ethane;4-(5-ethyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)morpholine;hydrofluoride.
What is the SMILES notation for ethane;4-(5-ethyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)morpholine;hydrofluoride?
The canonical SMILES for ethane;4-(5-ethyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)morpholine;hydrofluoride is CC.CCC1=CC(N2CCOCC2)=CC2CC12.F.
What is the InChIKey of ethane;4-(5-ethyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)morpholine;hydrofluoride?
The InChIKey is CPERZCFBQUPRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.C2H6.FH/c1-2-10-7-12(8-11-9-13(10)11)14-3-5-15-6-4-14;1-2;/h7-8,11,13H,2-6,9H2,1H3;1-2H3;1H.
What are the key properties of ethane;4-(5-ethyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)morpholine;hydrofluoride?
ethane;4-(5-ethyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)morpholine;hydrofluoride has a molecular weight of 255.38 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(5-ethyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)morpholine;hydrofluoride is sourced from PubChem (CID 143502148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).