4-[(2E,4E)-4-fluorohexa-2,4-dien-2-yl]-2,6-dimethylmorpholine

C12H20FNO — CID 89214988

IUPAC4-[(2E,4E)-4-fluorohexa-2,4-dien-2-yl]-2,6-dimethylmorpholine
SMILESC/C=C(F)\C=C(/C)N1CC(C)OC(C)C1
InChIInChI=1S/C12H20FNO/c1-5-12(13)6-9(2)14-7-10(3)15-11(4)8-14/h5-6,10-11H,7-8H2,1-4H3/b9-6+,12-5+
InChIKeyGAMSYHKOXFJOTC-CQKKQSJTSA-N
MW213.30 g/mol
LogP2.87
Rot. Bonds2

About 4-[(2E,4E)-4-fluorohexa-2,4-dien-2-yl]-2,6-dimethylmorpholine

4-[(2E,4E)-4-fluorohexa-2,4-dien-2-yl]-2,6-dimethylmorpholine (PubChem CID 89214988) has the molecular formula C12H20FNO and a molecular weight of 213.30 g/mol. Its IUPAC name is 4-[(2E,4E)-4-fluorohexa-2,4-dien-2-yl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[(2E,4E)-4-fluorohexa-2,4-dien-2-yl]-2,6-dimethylmorpholine
PubChem CID89214988
Molecular FormulaC12H20FNO
Molecular Weight213.30 g/mol
Exact Mass213.15
IUPAC Name4-[(2E,4E)-4-fluorohexa-2,4-dien-2-yl]-2,6-dimethylmorpholine
SMILESC/C=C(F)\C=C(/C)N1CC(C)OC(C)C1
InChIInChI=1S/C12H20FNO/c1-5-12(13)6-9(2)14-7-10(3)15-11(4)8-14/h5-6,10-11H,7-8H2,1-4H3/b9-6+,12-5+
InChIKeyGAMSYHKOXFJOTC-CQKKQSJTSA-N
XLogP2.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2E,4E)-4-fluorohexa-2,4-dien-2-yl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[(2E,4E)-4-fluorohexa-2,4-dien-2-yl]-2,6-dimethylmorpholine (CID 89214988) is 4-[(2E,4E)-4-fluorohexa-2,4-dien-2-yl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[(2E,4E)-4-fluorohexa-2,4-dien-2-yl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[(2E,4E)-4-fluorohexa-2,4-dien-2-yl]-2,6-dimethylmorpholine is C/C=C(F)\C=C(/C)N1CC(C)OC(C)C1.
What is the InChIKey of 4-[(2E,4E)-4-fluorohexa-2,4-dien-2-yl]-2,6-dimethylmorpholine?
The InChIKey is GAMSYHKOXFJOTC-CQKKQSJTSA-N. The full InChI is InChI=1S/C12H20FNO/c1-5-12(13)6-9(2)14-7-10(3)15-11(4)8-14/h5-6,10-11H,7-8H2,1-4H3/b9-6+,12-5+.
What are the key properties of 4-[(2E,4E)-4-fluorohexa-2,4-dien-2-yl]-2,6-dimethylmorpholine?
4-[(2E,4E)-4-fluorohexa-2,4-dien-2-yl]-2,6-dimethylmorpholine has a molecular weight of 213.30 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E,4E)-4-fluorohexa-2,4-dien-2-yl]-2,6-dimethylmorpholine is sourced from PubChem (CID 89214988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).