4-[2,2-difluoro-1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]morpholine

C12H17F5N2O — CID 135169382

IUPAC4-[2,2-difluoro-1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]morpholine
SMILESFC(F)=C(N1CCOCC1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H17F5N2O/c13-10(14)11(19-5-7-20-8-6-19)18-3-1-9(2-4-18)12(15,16)17/h9H,1-8H2
InChIKeyRKQRETVCAWXFBM-UHFFFAOYSA-N
MW300.27 g/mol
LogP2.66
Rot. Bonds2

About 4-[2,2-difluoro-1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]morpholine

4-[2,2-difluoro-1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]morpholine (PubChem CID 135169382) has the molecular formula C12H17F5N2O and a molecular weight of 300.27 g/mol. Its IUPAC name is 4-[2,2-difluoro-1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]morpholine.

Molecular Properties

Compound Name4-[2,2-difluoro-1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]morpholine
PubChem CID135169382
Molecular FormulaC12H17F5N2O
Molecular Weight300.27 g/mol
Exact Mass300.13
IUPAC Name4-[2,2-difluoro-1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]morpholine
SMILESFC(F)=C(N1CCOCC1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H17F5N2O/c13-10(14)11(19-5-7-20-8-6-19)18-3-1-9(2-4-18)12(15,16)17/h9H,1-8H2
InChIKeyRKQRETVCAWXFBM-UHFFFAOYSA-N
XLogP2.66
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-[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
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
4-[4-(Trifluoromethyl)piperidine-1-carbonyl]morpholine
CID 113246132
Ethane;4-[1-(4-methylpiperidin-1-yl)ethenyl]morpholine
CID 144225772
4-[(4-Methylpiperidin-1-yl)methyl]morpholine
CID 155208667
4-[1-(4-Methylpiperidin-1-yl)ethenyl]morpholine
CID 144225773

Frequently Asked Questions

What is the IUPAC name of 4-[2,2-difluoro-1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]morpholine?
The IUPAC name of 4-[2,2-difluoro-1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]morpholine (CID 135169382) is 4-[2,2-difluoro-1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]morpholine.
What is the SMILES notation for 4-[2,2-difluoro-1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]morpholine?
The canonical SMILES for 4-[2,2-difluoro-1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]morpholine is FC(F)=C(N1CCOCC1)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 4-[2,2-difluoro-1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]morpholine?
The InChIKey is RKQRETVCAWXFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F5N2O/c13-10(14)11(19-5-7-20-8-6-19)18-3-1-9(2-4-18)12(15,16)17/h9H,1-8H2.
What are the key properties of 4-[2,2-difluoro-1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]morpholine?
4-[2,2-difluoro-1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]morpholine has a molecular weight of 300.27 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-difluoro-1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]morpholine is sourced from PubChem (CID 135169382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).