4-[2-[(2E,4E)-6,6-difluoro-4,5-dimethylhexa-2,4-dien-2-yl]oxyethyl]morpholine

C14H23F2NO2 — CID 162586297

IUPAC4-[2-[(2E,4E)-6,6-difluoro-4,5-dimethylhexa-2,4-dien-2-yl]oxyethyl]morpholine
SMILESC/C(=C\C(C)=C(/C)C(F)F)OCCN1CCOCC1
InChIInChI=1S/C14H23F2NO2/c1-11(13(3)14(15)16)10-12(2)19-9-6-17-4-7-18-8-5-17/h10,14H,4-9H2,1-3H3/b12-10+,13-11+
InChIKeyIZHWWGFCAVKCED-DCIPZJNNSA-N
MW275.34 g/mol
LogP2.84
Rot. Bonds6

About 4-[2-[(2E,4E)-6,6-difluoro-4,5-dimethylhexa-2,4-dien-2-yl]oxyethyl]morpholine

4-[2-[(2E,4E)-6,6-difluoro-4,5-dimethylhexa-2,4-dien-2-yl]oxyethyl]morpholine (PubChem CID 162586297) has the molecular formula C14H23F2NO2 and a molecular weight of 275.34 g/mol. Its IUPAC name is 4-[2-[(2E,4E)-6,6-difluoro-4,5-dimethylhexa-2,4-dien-2-yl]oxyethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(2E,4E)-6,6-difluoro-4,5-dimethylhexa-2,4-dien-2-yl]oxyethyl]morpholine
PubChem CID162586297
Molecular FormulaC14H23F2NO2
Molecular Weight275.34 g/mol
Exact Mass275.17
IUPAC Name4-[2-[(2E,4E)-6,6-difluoro-4,5-dimethylhexa-2,4-dien-2-yl]oxyethyl]morpholine
SMILESC/C(=C\C(C)=C(/C)C(F)F)OCCN1CCOCC1
InChIInChI=1S/C14H23F2NO2/c1-11(13(3)14(15)16)10-12(2)19-9-6-17-4-7-18-8-5-17/h10,14H,4-9H2,1-3H3/b12-10+,13-11+
InChIKeyIZHWWGFCAVKCED-DCIPZJNNSA-N
XLogP2.84
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2E,4E)-6,6-difluoro-4,5-dimethylhexa-2,4-dien-2-yl]oxyethyl]morpholine?
The IUPAC name of 4-[2-[(2E,4E)-6,6-difluoro-4,5-dimethylhexa-2,4-dien-2-yl]oxyethyl]morpholine (CID 162586297) is 4-[2-[(2E,4E)-6,6-difluoro-4,5-dimethylhexa-2,4-dien-2-yl]oxyethyl]morpholine.
What is the SMILES notation for 4-[2-[(2E,4E)-6,6-difluoro-4,5-dimethylhexa-2,4-dien-2-yl]oxyethyl]morpholine?
The canonical SMILES for 4-[2-[(2E,4E)-6,6-difluoro-4,5-dimethylhexa-2,4-dien-2-yl]oxyethyl]morpholine is C/C(=C\C(C)=C(/C)C(F)F)OCCN1CCOCC1.
What is the InChIKey of 4-[2-[(2E,4E)-6,6-difluoro-4,5-dimethylhexa-2,4-dien-2-yl]oxyethyl]morpholine?
The InChIKey is IZHWWGFCAVKCED-DCIPZJNNSA-N. The full InChI is InChI=1S/C14H23F2NO2/c1-11(13(3)14(15)16)10-12(2)19-9-6-17-4-7-18-8-5-17/h10,14H,4-9H2,1-3H3/b12-10+,13-11+.
What are the key properties of 4-[2-[(2E,4E)-6,6-difluoro-4,5-dimethylhexa-2,4-dien-2-yl]oxyethyl]morpholine?
4-[2-[(2E,4E)-6,6-difluoro-4,5-dimethylhexa-2,4-dien-2-yl]oxyethyl]morpholine has a molecular weight of 275.34 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2E,4E)-6,6-difluoro-4,5-dimethylhexa-2,4-dien-2-yl]oxyethyl]morpholine is sourced from PubChem (CID 162586297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).