2,6-bis(trifluoromethyl)-4-(1,1,2-trifluoroprop-2-enyl)morpholine

C9H8F9NO — CID 129207511

IUPAC2,6-bis(trifluoromethyl)-4-(1,1,2-trifluoroprop-2-enyl)morpholine
SMILESC=C(F)C(F)(F)N1CC(C(F)(F)F)OC(C(F)(F)F)C1
InChIInChI=1S/C9H8F9NO/c1-4(10)9(17,18)19-2-5(7(11,12)13)20-6(3-19)8(14,15)16/h5-6H,1-3H2
InChIKeyYHQFXOITGBRFPV-UHFFFAOYSA-N
MW317.15 g/mol
LogP3.26
Rot. Bonds2

About 2,6-bis(trifluoromethyl)-4-(1,1,2-trifluoroprop-2-enyl)morpholine

2,6-bis(trifluoromethyl)-4-(1,1,2-trifluoroprop-2-enyl)morpholine (PubChem CID 129207511) has the molecular formula C9H8F9NO and a molecular weight of 317.15 g/mol. Its IUPAC name is 2,6-bis(trifluoromethyl)-4-(1,1,2-trifluoroprop-2-enyl)morpholine.

Molecular Properties

Compound Name2,6-bis(trifluoromethyl)-4-(1,1,2-trifluoroprop-2-enyl)morpholine
PubChem CID129207511
Molecular FormulaC9H8F9NO
Molecular Weight317.15 g/mol
Exact Mass317.05
IUPAC Name2,6-bis(trifluoromethyl)-4-(1,1,2-trifluoroprop-2-enyl)morpholine
SMILESC=C(F)C(F)(F)N1CC(C(F)(F)F)OC(C(F)(F)F)C1
InChIInChI=1S/C9H8F9NO/c1-4(10)9(17,18)19-2-5(7(11,12)13)20-6(3-19)8(14,15)16/h5-6H,1-3H2
InChIKeyYHQFXOITGBRFPV-UHFFFAOYSA-N
XLogP3.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.15
LogP ≤ 53.26
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 2,6-bis(trifluoromethyl)-4-(1,1,2-trifluoroprop-2-enyl)morpholine?
The IUPAC name of 2,6-bis(trifluoromethyl)-4-(1,1,2-trifluoroprop-2-enyl)morpholine (CID 129207511) is 2,6-bis(trifluoromethyl)-4-(1,1,2-trifluoroprop-2-enyl)morpholine.
What is the SMILES notation for 2,6-bis(trifluoromethyl)-4-(1,1,2-trifluoroprop-2-enyl)morpholine?
The canonical SMILES for 2,6-bis(trifluoromethyl)-4-(1,1,2-trifluoroprop-2-enyl)morpholine is C=C(F)C(F)(F)N1CC(C(F)(F)F)OC(C(F)(F)F)C1.
What is the InChIKey of 2,6-bis(trifluoromethyl)-4-(1,1,2-trifluoroprop-2-enyl)morpholine?
The InChIKey is YHQFXOITGBRFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F9NO/c1-4(10)9(17,18)19-2-5(7(11,12)13)20-6(3-19)8(14,15)16/h5-6H,1-3H2.
What are the key properties of 2,6-bis(trifluoromethyl)-4-(1,1,2-trifluoroprop-2-enyl)morpholine?
2,6-bis(trifluoromethyl)-4-(1,1,2-trifluoroprop-2-enyl)morpholine has a molecular weight of 317.15 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(trifluoromethyl)-4-(1,1,2-trifluoroprop-2-enyl)morpholine is sourced from PubChem (CID 129207511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).