2-[(E)-2-ethenyl-1,1-difluoro-5-methyl-4-methylidenehex-2-enyl]-4-methylmorpholine

C15H23F2NO — CID 164918323

IUPAC2-[(E)-2-ethenyl-1,1-difluoro-5-methyl-4-methylidenehex-2-enyl]-4-methylmorpholine
SMILESC=C/C(=C\C(=C)C(C)C)C(F)(F)C1CN(C)CCO1
InChIInChI=1S/C15H23F2NO/c1-6-13(9-12(4)11(2)3)15(16,17)14-10-18(5)7-8-19-14/h6,9,11,14H,1,4,7-8,10H2,2-3,5H3/b13-9+
InChIKeyRNPVOFZZIHYKHP-UKTHLTGXSA-N
MW271.35 g/mol
LogP3.28
Rot. Bonds5

About 2-[(E)-2-ethenyl-1,1-difluoro-5-methyl-4-methylidenehex-2-enyl]-4-methylmorpholine

2-[(E)-2-ethenyl-1,1-difluoro-5-methyl-4-methylidenehex-2-enyl]-4-methylmorpholine (PubChem CID 164918323) has the molecular formula C15H23F2NO and a molecular weight of 271.35 g/mol. Its IUPAC name is 2-[(E)-2-ethenyl-1,1-difluoro-5-methyl-4-methylidenehex-2-enyl]-4-methylmorpholine.

Molecular Properties

Compound Name2-[(E)-2-ethenyl-1,1-difluoro-5-methyl-4-methylidenehex-2-enyl]-4-methylmorpholine
PubChem CID164918323
Molecular FormulaC15H23F2NO
Molecular Weight271.35 g/mol
Exact Mass271.17
IUPAC Name2-[(E)-2-ethenyl-1,1-difluoro-5-methyl-4-methylidenehex-2-enyl]-4-methylmorpholine
SMILESC=C/C(=C\C(=C)C(C)C)C(F)(F)C1CN(C)CCO1
InChIInChI=1S/C15H23F2NO/c1-6-13(9-12(4)11(2)3)15(16,17)14-10-18(5)7-8-19-14/h6,9,11,14H,1,4,7-8,10H2,2-3,5H3/b13-9+
InChIKeyRNPVOFZZIHYKHP-UKTHLTGXSA-N
XLogP3.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,6S)-2-methyl-6-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]morpholine
CID 68213106
(2R,6S)-2-methyl-6-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]morpholine
CID 68213129
(2S,5R)-5-methyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]morpholine
CID 68213138
(5S)-5-methyl-2-[(1S)-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]morpholine
CID 68213148
(2S,5S)-5-methyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]morpholine
CID 68213162
(2S,5R)-5-methyl-2-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]morpholine
CID 68213206
(2S,5S)-5-methyl-2-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]morpholine
CID 68213211
4-[3-(6,7-Difluoro-5-methylcyclohepta-1,4,6-trien-1-yl)propyl]morpholine
CID 155442399
4-cyclopropyl-2-[(2Z)-2-ethenyl-1,1,3-trifluoro-4-methylpenta-2,4-dienyl]morpholine;ethane
CID 164564406
2-[(E)-2-ethenyl-1,1-difluoro-5-methyl-4-methylidenehex-2-enyl]morpholine
CID 164919318
4-cyclopropyl-2-[(Z)-2-ethenyl-1,1,3-trifluoro-5-methyl-4-methylidenehept-2-enyl]morpholine
CID 166129889
4-(2-Fluorocyclohexa-1,5-dien-1-yl)-1-(2-methoxyethyl)piperidine
CID 173172155

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-ethenyl-1,1-difluoro-5-methyl-4-methylidenehex-2-enyl]-4-methylmorpholine?
The IUPAC name of 2-[(E)-2-ethenyl-1,1-difluoro-5-methyl-4-methylidenehex-2-enyl]-4-methylmorpholine (CID 164918323) is 2-[(E)-2-ethenyl-1,1-difluoro-5-methyl-4-methylidenehex-2-enyl]-4-methylmorpholine.
What is the SMILES notation for 2-[(E)-2-ethenyl-1,1-difluoro-5-methyl-4-methylidenehex-2-enyl]-4-methylmorpholine?
The canonical SMILES for 2-[(E)-2-ethenyl-1,1-difluoro-5-methyl-4-methylidenehex-2-enyl]-4-methylmorpholine is C=C/C(=C\C(=C)C(C)C)C(F)(F)C1CN(C)CCO1.
What is the InChIKey of 2-[(E)-2-ethenyl-1,1-difluoro-5-methyl-4-methylidenehex-2-enyl]-4-methylmorpholine?
The InChIKey is RNPVOFZZIHYKHP-UKTHLTGXSA-N. The full InChI is InChI=1S/C15H23F2NO/c1-6-13(9-12(4)11(2)3)15(16,17)14-10-18(5)7-8-19-14/h6,9,11,14H,1,4,7-8,10H2,2-3,5H3/b13-9+.
What are the key properties of 2-[(E)-2-ethenyl-1,1-difluoro-5-methyl-4-methylidenehex-2-enyl]-4-methylmorpholine?
2-[(E)-2-ethenyl-1,1-difluoro-5-methyl-4-methylidenehex-2-enyl]-4-methylmorpholine has a molecular weight of 271.35 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-ethenyl-1,1-difluoro-5-methyl-4-methylidenehex-2-enyl]-4-methylmorpholine is sourced from PubChem (CID 164918323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).