4-[(E)-1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2-fluoroethenyl]morpholine

C13H17F7N2O — CID 135169732

IUPAC4-[(E)-1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2-fluoroethenyl]morpholine
SMILESF/C=C(/N1CCOCC1)N1CC(C(F)(F)F)CC(C(F)(F)F)C1
InChIInChI=1S/C13H17F7N2O/c14-6-11(21-1-3-23-4-2-21)22-7-9(12(15,16)17)5-10(8-22)13(18,19)20/h6,9-10H,1-5,7-8H2/b11-6-
InChIKeyWJGONBUYXLCEOJ-WDZFZDKYSA-N
MW350.28 g/mol
LogP3.15
Rot. Bonds2

About 4-[(E)-1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2-fluoroethenyl]morpholine

4-[(E)-1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2-fluoroethenyl]morpholine (PubChem CID 135169732) has the molecular formula C13H17F7N2O and a molecular weight of 350.28 g/mol. Its IUPAC name is 4-[(E)-1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2-fluoroethenyl]morpholine.

Molecular Properties

Compound Name4-[(E)-1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2-fluoroethenyl]morpholine
PubChem CID135169732
Molecular FormulaC13H17F7N2O
Molecular Weight350.28 g/mol
Exact Mass350.12
IUPAC Name4-[(E)-1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2-fluoroethenyl]morpholine
SMILESF/C=C(/N1CCOCC1)N1CC(C(F)(F)F)CC(C(F)(F)F)C1
InChIInChI=1S/C13H17F7N2O/c14-6-11(21-1-3-23-4-2-21)22-7-9(12(15,16)17)5-10(8-22)13(18,19)20/h6,9-10H,1-5,7-8H2/b11-6-
InChIKeyWJGONBUYXLCEOJ-WDZFZDKYSA-N
XLogP3.15
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.28
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(E)-1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2-fluoroethenyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2,2-Difluoro-1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]morpholine
CID 135169382
4-[(E)-2-fluoro-1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]morpholine
CID 135169385
4-[(E)-2,3,3,3-tetrafluoro-1-[4-(trifluoromethyl)piperidin-1-yl]prop-1-enyl]morpholine
CID 135169386
4-[(E)-2-fluoro-1-piperidin-1-ylethenyl]morpholine
CID 135169408
4-(2,2-Difluoro-1-piperidin-1-ylethenyl)morpholine
CID 135169411
4-[(E)-2,3,3,3-tetrafluoro-1-piperidin-1-ylprop-1-enyl]morpholine
CID 135169439
4-[1-[3,5-Bis(trifluoromethyl)piperidin-1-yl]-2,2-difluoroethenyl]morpholine
CID 135169728
4-[(E)-1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2,3,3,3-tetrafluoroprop-1-enyl]morpholine
CID 135169730
Ethane;4-[1-(4-methylpiperidin-1-yl)ethenyl]morpholine
CID 144225772
4-[1-(4-Methylpiperidin-1-yl)ethenyl]morpholine
CID 144225773

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2-fluoroethenyl]morpholine?
The IUPAC name of 4-[(E)-1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2-fluoroethenyl]morpholine (CID 135169732) is 4-[(E)-1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2-fluoroethenyl]morpholine.
What is the SMILES notation for 4-[(E)-1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2-fluoroethenyl]morpholine?
The canonical SMILES for 4-[(E)-1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2-fluoroethenyl]morpholine is F/C=C(/N1CCOCC1)N1CC(C(F)(F)F)CC(C(F)(F)F)C1.
What is the InChIKey of 4-[(E)-1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2-fluoroethenyl]morpholine?
The InChIKey is WJGONBUYXLCEOJ-WDZFZDKYSA-N. The full InChI is InChI=1S/C13H17F7N2O/c14-6-11(21-1-3-23-4-2-21)22-7-9(12(15,16)17)5-10(8-22)13(18,19)20/h6,9-10H,1-5,7-8H2/b11-6-.
What are the key properties of 4-[(E)-1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2-fluoroethenyl]morpholine?
4-[(E)-1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2-fluoroethenyl]morpholine has a molecular weight of 350.28 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2-fluoroethenyl]morpholine is sourced from PubChem (CID 135169732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).