4-[2-fluoro-3-(trifluoromethyl)but-3-enyl]morpholine

C9H13F4NO — CID 163932270

IUPAC4-[2-fluoro-3-(trifluoromethyl)but-3-enyl]morpholine
SMILESC=C(C(F)CN1CCOCC1)C(F)(F)F
InChIInChI=1S/C9H13F4NO/c1-7(9(11,12)13)8(10)6-14-2-4-15-5-3-14/h8H,1-6H2
InChIKeyRJRMZBWWNPMXDW-UHFFFAOYSA-N
MW227.20 g/mol
LogP1.78
Rot. Bonds3

About 4-[2-fluoro-3-(trifluoromethyl)but-3-enyl]morpholine

4-[2-fluoro-3-(trifluoromethyl)but-3-enyl]morpholine (PubChem CID 163932270) has the molecular formula C9H13F4NO and a molecular weight of 227.20 g/mol. Its IUPAC name is 4-[2-fluoro-3-(trifluoromethyl)but-3-enyl]morpholine.

Molecular Properties

Compound Name4-[2-fluoro-3-(trifluoromethyl)but-3-enyl]morpholine
PubChem CID163932270
Molecular FormulaC9H13F4NO
Molecular Weight227.20 g/mol
Exact Mass227.09
IUPAC Name4-[2-fluoro-3-(trifluoromethyl)but-3-enyl]morpholine
SMILESC=C(C(F)CN1CCOCC1)C(F)(F)F
InChIInChI=1S/C9H13F4NO/c1-7(9(11,12)13)8(10)6-14-2-4-15-5-3-14/h8H,1-6H2
InChIKeyRJRMZBWWNPMXDW-UHFFFAOYSA-N
XLogP1.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.20
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-3-(trifluoromethyl)but-3-enyl]morpholine?
The IUPAC name of 4-[2-fluoro-3-(trifluoromethyl)but-3-enyl]morpholine (CID 163932270) is 4-[2-fluoro-3-(trifluoromethyl)but-3-enyl]morpholine.
What is the SMILES notation for 4-[2-fluoro-3-(trifluoromethyl)but-3-enyl]morpholine?
The canonical SMILES for 4-[2-fluoro-3-(trifluoromethyl)but-3-enyl]morpholine is C=C(C(F)CN1CCOCC1)C(F)(F)F.
What is the InChIKey of 4-[2-fluoro-3-(trifluoromethyl)but-3-enyl]morpholine?
The InChIKey is RJRMZBWWNPMXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F4NO/c1-7(9(11,12)13)8(10)6-14-2-4-15-5-3-14/h8H,1-6H2.
What are the key properties of 4-[2-fluoro-3-(trifluoromethyl)but-3-enyl]morpholine?
4-[2-fluoro-3-(trifluoromethyl)but-3-enyl]morpholine has a molecular weight of 227.20 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-3-(trifluoromethyl)but-3-enyl]morpholine is sourced from PubChem (CID 163932270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).