4-[(E)-2,3,3,3-tetrafluoro-1-[4-(trifluoromethyl)piperidin-1-yl]prop-1-enyl]morpholine

C13H17F7N2O — CID 135169386

IUPAC4-[(E)-2,3,3,3-tetrafluoro-1-[4-(trifluoromethyl)piperidin-1-yl]prop-1-enyl]morpholine
SMILESF/C(=C(/N1CCOCC1)N1CCC(C(F)(F)F)CC1)C(F)(F)F
InChIInChI=1S/C13H17F7N2O/c14-10(13(18,19)20)11(22-5-7-23-8-6-22)21-3-1-9(2-4-21)12(15,16)17/h9H,1-8H2/b11-10+
InChIKeyGHWRANFZOGBHRY-ZHACJKMWSA-N
MW350.28 g/mol
LogP3.29
Rot. Bonds2

About 4-[(E)-2,3,3,3-tetrafluoro-1-[4-(trifluoromethyl)piperidin-1-yl]prop-1-enyl]morpholine

4-[(E)-2,3,3,3-tetrafluoro-1-[4-(trifluoromethyl)piperidin-1-yl]prop-1-enyl]morpholine (PubChem CID 135169386) has the molecular formula C13H17F7N2O and a molecular weight of 350.28 g/mol. Its IUPAC name is 4-[(E)-2,3,3,3-tetrafluoro-1-[4-(trifluoromethyl)piperidin-1-yl]prop-1-enyl]morpholine.

Molecular Properties

Compound Name4-[(E)-2,3,3,3-tetrafluoro-1-[4-(trifluoromethyl)piperidin-1-yl]prop-1-enyl]morpholine
PubChem CID135169386
Molecular FormulaC13H17F7N2O
Molecular Weight350.28 g/mol
Exact Mass350.12
IUPAC Name4-[(E)-2,3,3,3-tetrafluoro-1-[4-(trifluoromethyl)piperidin-1-yl]prop-1-enyl]morpholine
SMILESF/C(=C(/N1CCOCC1)N1CCC(C(F)(F)F)CC1)C(F)(F)F
InChIInChI=1S/C13H17F7N2O/c14-10(13(18,19)20)11(22-5-7-23-8-6-22)21-3-1-9(2-4-21)12(15,16)17/h9H,1-8H2/b11-10+
InChIKeyGHWRANFZOGBHRY-ZHACJKMWSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2,3,3,3-tetrafluoro-1-[4-(trifluoromethyl)piperidin-1-yl]prop-1-enyl]morpholine?
The IUPAC name of 4-[(E)-2,3,3,3-tetrafluoro-1-[4-(trifluoromethyl)piperidin-1-yl]prop-1-enyl]morpholine (CID 135169386) is 4-[(E)-2,3,3,3-tetrafluoro-1-[4-(trifluoromethyl)piperidin-1-yl]prop-1-enyl]morpholine.
What is the SMILES notation for 4-[(E)-2,3,3,3-tetrafluoro-1-[4-(trifluoromethyl)piperidin-1-yl]prop-1-enyl]morpholine?
The canonical SMILES for 4-[(E)-2,3,3,3-tetrafluoro-1-[4-(trifluoromethyl)piperidin-1-yl]prop-1-enyl]morpholine is F/C(=C(/N1CCOCC1)N1CCC(C(F)(F)F)CC1)C(F)(F)F.
What is the InChIKey of 4-[(E)-2,3,3,3-tetrafluoro-1-[4-(trifluoromethyl)piperidin-1-yl]prop-1-enyl]morpholine?
The InChIKey is GHWRANFZOGBHRY-ZHACJKMWSA-N. The full InChI is InChI=1S/C13H17F7N2O/c14-10(13(18,19)20)11(22-5-7-23-8-6-22)21-3-1-9(2-4-21)12(15,16)17/h9H,1-8H2/b11-10+.
What are the key properties of 4-[(E)-2,3,3,3-tetrafluoro-1-[4-(trifluoromethyl)piperidin-1-yl]prop-1-enyl]morpholine?
4-[(E)-2,3,3,3-tetrafluoro-1-[4-(trifluoromethyl)piperidin-1-yl]prop-1-enyl]morpholine has a molecular weight of 350.28 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2,3,3,3-tetrafluoro-1-[4-(trifluoromethyl)piperidin-1-yl]prop-1-enyl]morpholine is sourced from PubChem (CID 135169386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).