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

C10H8F11NO — CID 129207497

IUPAC4-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-2,6-bis(trifluoromethyl)morpholine
SMILESC=C(F)C(F)(N1CC(C(F)(F)F)OC(C(F)(F)F)C1)C(F)(F)F
InChIInChI=1S/C10H8F11NO/c1-4(11)7(12,10(19,20)21)22-2-5(8(13,14)15)23-6(3-22)9(16,17)18/h5-6H,1-3H2
InChIKeySXEPFHRJIBZYQA-UHFFFAOYSA-N
MW367.16 g/mol
LogP3.89
Rot. Bonds2

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

4-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-2,6-bis(trifluoromethyl)morpholine (PubChem CID 129207497) has the molecular formula C10H8F11NO and a molecular weight of 367.16 g/mol. Its IUPAC name is 4-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-2,6-bis(trifluoromethyl)morpholine.

Molecular Properties

Compound Name4-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-2,6-bis(trifluoromethyl)morpholine
PubChem CID129207497
Molecular FormulaC10H8F11NO
Molecular Weight367.16 g/mol
Exact Mass367.04
IUPAC Name4-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-2,6-bis(trifluoromethyl)morpholine
SMILESC=C(F)C(F)(N1CC(C(F)(F)F)OC(C(F)(F)F)C1)C(F)(F)F
InChIInChI=1S/C10H8F11NO/c1-4(11)7(12,10(19,20)21)22-2-5(8(13,14)15)23-6(3-22)9(16,17)18/h5-6H,1-3H2
InChIKeySXEPFHRJIBZYQA-UHFFFAOYSA-N
XLogP3.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.16
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-2,6-bis(trifluoromethyl)morpholine?
The IUPAC name of 4-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-2,6-bis(trifluoromethyl)morpholine (CID 129207497) is 4-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-2,6-bis(trifluoromethyl)morpholine.
What is the SMILES notation for 4-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-2,6-bis(trifluoromethyl)morpholine?
The canonical SMILES for 4-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-2,6-bis(trifluoromethyl)morpholine is C=C(F)C(F)(N1CC(C(F)(F)F)OC(C(F)(F)F)C1)C(F)(F)F.
What is the InChIKey of 4-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-2,6-bis(trifluoromethyl)morpholine?
The InChIKey is SXEPFHRJIBZYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F11NO/c1-4(11)7(12,10(19,20)21)22-2-5(8(13,14)15)23-6(3-22)9(16,17)18/h5-6H,1-3H2.
What are the key properties of 4-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-2,6-bis(trifluoromethyl)morpholine?
4-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-2,6-bis(trifluoromethyl)morpholine has a molecular weight of 367.16 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-2,6-bis(trifluoromethyl)morpholine is sourced from PubChem (CID 129207497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).