4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-2,6-bis(trifluoromethyl)morpholine

C9H6F11NO — CID 118673884

IUPAC4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-2,6-bis(trifluoromethyl)morpholine
SMILESFC(F)=C(N1CC(C(F)(F)F)OC(C(F)(F)F)C1)C(F)(F)F
InChIInChI=1S/C9H6F11NO/c10-6(11)5(9(18,19)20)21-1-3(7(12,13)14)22-4(2-21)8(15,16)17/h3-4H,1-2H2
InChIKeyUZSAVJKMEYZZAO-UHFFFAOYSA-N
MW353.13 g/mol
LogP3.85
Rot. Bonds1

About 4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-2,6-bis(trifluoromethyl)morpholine

4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-2,6-bis(trifluoromethyl)morpholine (PubChem CID 118673884) has the molecular formula C9H6F11NO and a molecular weight of 353.13 g/mol. Its IUPAC name is 4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-2,6-bis(trifluoromethyl)morpholine.

Molecular Properties

Compound Name4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-2,6-bis(trifluoromethyl)morpholine
PubChem CID118673884
Molecular FormulaC9H6F11NO
Molecular Weight353.13 g/mol
Exact Mass353.03
IUPAC Name4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-2,6-bis(trifluoromethyl)morpholine
SMILESFC(F)=C(N1CC(C(F)(F)F)OC(C(F)(F)F)C1)C(F)(F)F
InChIInChI=1S/C9H6F11NO/c10-6(11)5(9(18,19)20)21-1-3(7(12,13)14)22-4(2-21)8(15,16)17/h3-4H,1-2H2
InChIKeyUZSAVJKMEYZZAO-UHFFFAOYSA-N
XLogP3.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.13
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-2,6-bis(trifluoromethyl)morpholine?
The IUPAC name of 4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-2,6-bis(trifluoromethyl)morpholine (CID 118673884) is 4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-2,6-bis(trifluoromethyl)morpholine.
What is the SMILES notation for 4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-2,6-bis(trifluoromethyl)morpholine?
The canonical SMILES for 4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-2,6-bis(trifluoromethyl)morpholine is FC(F)=C(N1CC(C(F)(F)F)OC(C(F)(F)F)C1)C(F)(F)F.
What is the InChIKey of 4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-2,6-bis(trifluoromethyl)morpholine?
The InChIKey is UZSAVJKMEYZZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F11NO/c10-6(11)5(9(18,19)20)21-1-3(7(12,13)14)22-4(2-21)8(15,16)17/h3-4H,1-2H2.
What are the key properties of 4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-2,6-bis(trifluoromethyl)morpholine?
4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-2,6-bis(trifluoromethyl)morpholine has a molecular weight of 353.13 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-2,6-bis(trifluoromethyl)morpholine is sourced from PubChem (CID 118673884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).