4-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enyl]morpholine

C8H8F7NO — CID 22964137

IUPAC4-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enyl]morpholine
SMILESFC(=C(C(F)(F)F)C(F)(F)F)N1CCOCC1
InChIInChI=1S/C8H8F7NO/c9-6(16-1-3-17-4-2-16)5(7(10,11)12)8(13,14)15/h1-4H2
InChIKeyKJCHMAKHWURTHS-UHFFFAOYSA-N
MW267.14 g/mol
LogP2.62
Rot. Bonds1

About 4-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enyl]morpholine

4-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enyl]morpholine (PubChem CID 22964137) has the molecular formula C8H8F7NO and a molecular weight of 267.14 g/mol. Its IUPAC name is 4-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enyl]morpholine.

Molecular Properties

Compound Name4-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enyl]morpholine
PubChem CID22964137
Molecular FormulaC8H8F7NO
Molecular Weight267.14 g/mol
Exact Mass267.05
IUPAC Name4-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enyl]morpholine
SMILESFC(=C(C(F)(F)F)C(F)(F)F)N1CCOCC1
InChIInChI=1S/C8H8F7NO/c9-6(16-1-3-17-4-2-16)5(7(10,11)12)8(13,14)15/h1-4H2
InChIKeyKJCHMAKHWURTHS-UHFFFAOYSA-N
XLogP2.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.14
LogP ≤ 52.62
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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Related Compounds

4-[1,1-Difluoro-2-(trifluoromethyl)prop-2-enyl]-2,6-bis(trifluoromethyl)morpholine
CID 129207503
4-(1-Fluoro-2-methylprop-1-enyl)morpholine
CID 85930100
4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]morpholine
CID 13499030
4-(3,3,3-Trifluoro-2-methylprop-1-enylidene)morpholin-4-ium
CID 22964138
4-[2-(2,2,3,3,3-Pentafluoropropoxy)ethyl]morpholine
CID 59012997
4-(1,1,2,3,3-Pentafluoroprop-2-enyl)morpholine
CID 67894322
4-(1,2,2-Trifluoroethenyl)morpholine
CID 85772643
4-(1,2,3,3,3-Pentafluoroprop-1-enyl)morpholine
CID 86148296
4-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]morpholine
CID 102316233
4-(1,1,3,3,3-Pentafluoroprop-1-en-2-yl)morpholine
CID 118673874
4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-2,6-bis(trifluoromethyl)morpholine
CID 118673890
4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]morpholine
CID 124113919

Frequently Asked Questions

What is the IUPAC name of 4-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enyl]morpholine?
The IUPAC name of 4-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enyl]morpholine (CID 22964137) is 4-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enyl]morpholine.
What is the SMILES notation for 4-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enyl]morpholine?
The canonical SMILES for 4-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enyl]morpholine is FC(=C(C(F)(F)F)C(F)(F)F)N1CCOCC1.
What is the InChIKey of 4-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enyl]morpholine?
The InChIKey is KJCHMAKHWURTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F7NO/c9-6(16-1-3-17-4-2-16)5(7(10,11)12)8(13,14)15/h1-4H2.
What are the key properties of 4-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enyl]morpholine?
4-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enyl]morpholine has a molecular weight of 267.14 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enyl]morpholine is sourced from PubChem (CID 22964137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).