4-[(Z)-2-fluoro-1-morpholin-4-ylethenyl]-2,6-bis(trifluoromethyl)morpholine

C12H15F7N2O2 — CID 135169453

IUPAC4-[(Z)-2-fluoro-1-morpholin-4-ylethenyl]-2,6-bis(trifluoromethyl)morpholine
SMILESF/C=C(/N1CCOCC1)N1CC(C(F)(F)F)OC(C(F)(F)F)C1
InChIInChI=1S/C12H15F7N2O2/c13-5-10(20-1-3-22-4-2-20)21-6-8(11(14,15)16)23-9(7-21)12(17,18)19/h5,8-9H,1-4,6-7H2/b10-5-
InChIKeyXQSAHSOVRHQQRL-YHYXMXQVSA-N
MW352.25 g/mol
LogP2.28
Rot. Bonds2

About 4-[(Z)-2-fluoro-1-morpholin-4-ylethenyl]-2,6-bis(trifluoromethyl)morpholine

4-[(Z)-2-fluoro-1-morpholin-4-ylethenyl]-2,6-bis(trifluoromethyl)morpholine (PubChem CID 135169453) has the molecular formula C12H15F7N2O2 and a molecular weight of 352.25 g/mol. Its IUPAC name is 4-[(Z)-2-fluoro-1-morpholin-4-ylethenyl]-2,6-bis(trifluoromethyl)morpholine.

Molecular Properties

Compound Name4-[(Z)-2-fluoro-1-morpholin-4-ylethenyl]-2,6-bis(trifluoromethyl)morpholine
PubChem CID135169453
Molecular FormulaC12H15F7N2O2
Molecular Weight352.25 g/mol
Exact Mass352.10
IUPAC Name4-[(Z)-2-fluoro-1-morpholin-4-ylethenyl]-2,6-bis(trifluoromethyl)morpholine
SMILESF/C=C(/N1CCOCC1)N1CC(C(F)(F)F)OC(C(F)(F)F)C1
InChIInChI=1S/C12H15F7N2O2/c13-5-10(20-1-3-22-4-2-20)21-6-8(11(14,15)16)23-9(7-21)12(17,18)19/h5,8-9H,1-4,6-7H2/b10-5-
InChIKeyXQSAHSOVRHQQRL-YHYXMXQVSA-N
XLogP2.28
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-fluoro-1-morpholin-4-ylethenyl]-2,6-bis(trifluoromethyl)morpholine?
The IUPAC name of 4-[(Z)-2-fluoro-1-morpholin-4-ylethenyl]-2,6-bis(trifluoromethyl)morpholine (CID 135169453) is 4-[(Z)-2-fluoro-1-morpholin-4-ylethenyl]-2,6-bis(trifluoromethyl)morpholine.
What is the SMILES notation for 4-[(Z)-2-fluoro-1-morpholin-4-ylethenyl]-2,6-bis(trifluoromethyl)morpholine?
The canonical SMILES for 4-[(Z)-2-fluoro-1-morpholin-4-ylethenyl]-2,6-bis(trifluoromethyl)morpholine is F/C=C(/N1CCOCC1)N1CC(C(F)(F)F)OC(C(F)(F)F)C1.
What is the InChIKey of 4-[(Z)-2-fluoro-1-morpholin-4-ylethenyl]-2,6-bis(trifluoromethyl)morpholine?
The InChIKey is XQSAHSOVRHQQRL-YHYXMXQVSA-N. The full InChI is InChI=1S/C12H15F7N2O2/c13-5-10(20-1-3-22-4-2-20)21-6-8(11(14,15)16)23-9(7-21)12(17,18)19/h5,8-9H,1-4,6-7H2/b10-5-.
What are the key properties of 4-[(Z)-2-fluoro-1-morpholin-4-ylethenyl]-2,6-bis(trifluoromethyl)morpholine?
4-[(Z)-2-fluoro-1-morpholin-4-ylethenyl]-2,6-bis(trifluoromethyl)morpholine has a molecular weight of 352.25 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-fluoro-1-morpholin-4-ylethenyl]-2,6-bis(trifluoromethyl)morpholine is sourced from PubChem (CID 135169453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).