4-[(E,4E)-4-ethylidene-5,5-difluoro-2-methylhept-2-enyl]morpholine

C14H23F2NO — CID 144997257

IUPAC4-[(E,4E)-4-ethylidene-5,5-difluoro-2-methylhept-2-enyl]morpholine
SMILESC/C=C(\C=C(/C)CN1CCOCC1)C(F)(F)CC
InChIInChI=1S/C14H23F2NO/c1-4-13(14(15,16)5-2)10-12(3)11-17-6-8-18-9-7-17/h4,10H,5-9,11H2,1-3H3/b12-10+,13-4+
InChIKeyZHJFQVOCLTZRPU-DHLSWZEKSA-N
MW259.34 g/mol
LogP3.26
Rot. Bonds5

About 4-[(E,4E)-4-ethylidene-5,5-difluoro-2-methylhept-2-enyl]morpholine

4-[(E,4E)-4-ethylidene-5,5-difluoro-2-methylhept-2-enyl]morpholine (PubChem CID 144997257) has the molecular formula C14H23F2NO and a molecular weight of 259.34 g/mol. Its IUPAC name is 4-[(E,4E)-4-ethylidene-5,5-difluoro-2-methylhept-2-enyl]morpholine.

Molecular Properties

Compound Name4-[(E,4E)-4-ethylidene-5,5-difluoro-2-methylhept-2-enyl]morpholine
PubChem CID144997257
Molecular FormulaC14H23F2NO
Molecular Weight259.34 g/mol
Exact Mass259.17
IUPAC Name4-[(E,4E)-4-ethylidene-5,5-difluoro-2-methylhept-2-enyl]morpholine
SMILESC/C=C(\C=C(/C)CN1CCOCC1)C(F)(F)CC
InChIInChI=1S/C14H23F2NO/c1-4-13(14(15,16)5-2)10-12(3)11-17-6-8-18-9-7-17/h4,10H,5-9,11H2,1-3H3/b12-10+,13-4+
InChIKeyZHJFQVOCLTZRPU-DHLSWZEKSA-N
XLogP3.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 53.26
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-[(E,4E)-4-ethylidene-5,5-difluoro-2-methylhept-2-enyl]morpholine?
The IUPAC name of 4-[(E,4E)-4-ethylidene-5,5-difluoro-2-methylhept-2-enyl]morpholine (CID 144997257) is 4-[(E,4E)-4-ethylidene-5,5-difluoro-2-methylhept-2-enyl]morpholine.
What is the SMILES notation for 4-[(E,4E)-4-ethylidene-5,5-difluoro-2-methylhept-2-enyl]morpholine?
The canonical SMILES for 4-[(E,4E)-4-ethylidene-5,5-difluoro-2-methylhept-2-enyl]morpholine is C/C=C(\C=C(/C)CN1CCOCC1)C(F)(F)CC.
What is the InChIKey of 4-[(E,4E)-4-ethylidene-5,5-difluoro-2-methylhept-2-enyl]morpholine?
The InChIKey is ZHJFQVOCLTZRPU-DHLSWZEKSA-N. The full InChI is InChI=1S/C14H23F2NO/c1-4-13(14(15,16)5-2)10-12(3)11-17-6-8-18-9-7-17/h4,10H,5-9,11H2,1-3H3/b12-10+,13-4+.
What are the key properties of 4-[(E,4E)-4-ethylidene-5,5-difluoro-2-methylhept-2-enyl]morpholine?
4-[(E,4E)-4-ethylidene-5,5-difluoro-2-methylhept-2-enyl]morpholine has a molecular weight of 259.34 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E,4E)-4-ethylidene-5,5-difluoro-2-methylhept-2-enyl]morpholine is sourced from PubChem (CID 144997257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).