4-(1,2,2-trifluoroethenyl)-2,6-bis(trifluoromethyl)morpholine

C8H6F9NO — CID 121241189

IUPAC4-(1,2,2-trifluoroethenyl)-2,6-bis(trifluoromethyl)morpholine
SMILESFC(F)=C(F)N1CC(C(F)(F)F)OC(C(F)(F)F)C1
InChIInChI=1S/C8H6F9NO/c9-5(10)6(11)18-1-3(7(12,13)14)19-4(2-18)8(15,16)17/h3-4H,1-2H2
InChIKeyRQPRCZJIHWLEHQ-UHFFFAOYSA-N
MW303.12 g/mol
LogP3.22
Rot. Bonds1

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

4-(1,2,2-trifluoroethenyl)-2,6-bis(trifluoromethyl)morpholine (PubChem CID 121241189) has the molecular formula C8H6F9NO and a molecular weight of 303.12 g/mol. Its IUPAC name is 4-(1,2,2-trifluoroethenyl)-2,6-bis(trifluoromethyl)morpholine.

Molecular Properties

Compound Name4-(1,2,2-trifluoroethenyl)-2,6-bis(trifluoromethyl)morpholine
PubChem CID121241189
Molecular FormulaC8H6F9NO
Molecular Weight303.12 g/mol
Exact Mass303.03
IUPAC Name4-(1,2,2-trifluoroethenyl)-2,6-bis(trifluoromethyl)morpholine
SMILESFC(F)=C(F)N1CC(C(F)(F)F)OC(C(F)(F)F)C1
InChIInChI=1S/C8H6F9NO/c9-5(10)6(11)18-1-3(7(12,13)14)19-4(2-18)8(15,16)17/h3-4H,1-2H2
InChIKeyRQPRCZJIHWLEHQ-UHFFFAOYSA-N
XLogP3.22
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.12
LogP ≤ 53.22
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-(1,2,2-trifluoroethenyl)-2,6-bis(trifluoromethyl)morpholine?
The IUPAC name of 4-(1,2,2-trifluoroethenyl)-2,6-bis(trifluoromethyl)morpholine (CID 121241189) is 4-(1,2,2-trifluoroethenyl)-2,6-bis(trifluoromethyl)morpholine.
What is the SMILES notation for 4-(1,2,2-trifluoroethenyl)-2,6-bis(trifluoromethyl)morpholine?
The canonical SMILES for 4-(1,2,2-trifluoroethenyl)-2,6-bis(trifluoromethyl)morpholine is FC(F)=C(F)N1CC(C(F)(F)F)OC(C(F)(F)F)C1.
What is the InChIKey of 4-(1,2,2-trifluoroethenyl)-2,6-bis(trifluoromethyl)morpholine?
The InChIKey is RQPRCZJIHWLEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F9NO/c9-5(10)6(11)18-1-3(7(12,13)14)19-4(2-18)8(15,16)17/h3-4H,1-2H2.
What are the key properties of 4-(1,2,2-trifluoroethenyl)-2,6-bis(trifluoromethyl)morpholine?
4-(1,2,2-trifluoroethenyl)-2,6-bis(trifluoromethyl)morpholine has a molecular weight of 303.12 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,2-trifluoroethenyl)-2,6-bis(trifluoromethyl)morpholine is sourced from PubChem (CID 121241189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).