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

C13H16F8N2O — CID 135169728

IUPAC4-[1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2,2-difluoroethenyl]morpholine
SMILESFC(F)=C(N1CCOCC1)N1CC(C(F)(F)F)CC(C(F)(F)F)C1
InChIInChI=1S/C13H16F8N2O/c14-10(15)11(22-1-3-24-4-2-22)23-6-8(12(16,17)18)5-9(7-23)13(19,20)21/h8-9H,1-7H2
InChIKeyIKRPZXCIPMOMOG-UHFFFAOYSA-N
MW368.27 g/mol
LogP3.45
Rot. Bonds2

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

4-[1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2,2-difluoroethenyl]morpholine (PubChem CID 135169728) has the molecular formula C13H16F8N2O and a molecular weight of 368.27 g/mol. Its IUPAC name is 4-[1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2,2-difluoroethenyl]morpholine.

Molecular Properties

Compound Name4-[1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2,2-difluoroethenyl]morpholine
PubChem CID135169728
Molecular FormulaC13H16F8N2O
Molecular Weight368.27 g/mol
Exact Mass368.11
IUPAC Name4-[1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2,2-difluoroethenyl]morpholine
SMILESFC(F)=C(N1CCOCC1)N1CC(C(F)(F)F)CC(C(F)(F)F)C1
InChIInChI=1S/C13H16F8N2O/c14-10(15)11(22-1-3-24-4-2-22)23-6-8(12(16,17)18)5-9(7-23)13(19,20)21/h8-9H,1-7H2
InChIKeyIKRPZXCIPMOMOG-UHFFFAOYSA-N
XLogP3.45
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.27
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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-(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-[(E)-1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2,3,3,3-tetrafluoroprop-1-enyl]morpholine
CID 135169730
4-[(E)-1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2-fluoroethenyl]morpholine
CID 135169732
4-[(4,4-Difluoropiperidin-1-yl)methyl]morpholine
CID 141217769
Morpholin-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 115575687

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2,2-difluoroethenyl]morpholine?
The IUPAC name of 4-[1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2,2-difluoroethenyl]morpholine (CID 135169728) is 4-[1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2,2-difluoroethenyl]morpholine.
What is the SMILES notation for 4-[1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2,2-difluoroethenyl]morpholine?
The canonical SMILES for 4-[1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2,2-difluoroethenyl]morpholine is FC(F)=C(N1CCOCC1)N1CC(C(F)(F)F)CC(C(F)(F)F)C1.
What is the InChIKey of 4-[1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2,2-difluoroethenyl]morpholine?
The InChIKey is IKRPZXCIPMOMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F8N2O/c14-10(15)11(22-1-3-24-4-2-22)23-6-8(12(16,17)18)5-9(7-23)13(19,20)21/h8-9H,1-7H2.
What are the key properties of 4-[1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2,2-difluoroethenyl]morpholine?
4-[1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2,2-difluoroethenyl]morpholine has a molecular weight of 368.27 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2,2-difluoroethenyl]morpholine is sourced from PubChem (CID 135169728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).