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

C16H25F2NO — CID 164919086

IUPAC3-[(E)-2-ethenyl-1,1-difluoro-5,5-dimethyl-4-methylidenehex-2-enyl]-4-methylmorpholine
SMILESC=C/C(=C\C(=C)C(C)(C)C)C(F)(F)C1COCCN1C
InChIInChI=1S/C16H25F2NO/c1-7-13(10-12(2)15(3,4)5)16(17,18)14-11-20-9-8-19(14)6/h7,10,14H,1-2,8-9,11H2,3-6H3/b13-10+
InChIKeyRMKLPSFKLKTQJR-JLHYYAGUSA-N
MW285.38 g/mol
LogP3.67
Rot. Bonds4

About 3-[(E)-2-ethenyl-1,1-difluoro-5,5-dimethyl-4-methylidenehex-2-enyl]-4-methylmorpholine

3-[(E)-2-ethenyl-1,1-difluoro-5,5-dimethyl-4-methylidenehex-2-enyl]-4-methylmorpholine (PubChem CID 164919086) has the molecular formula C16H25F2NO and a molecular weight of 285.38 g/mol. Its IUPAC name is 3-[(E)-2-ethenyl-1,1-difluoro-5,5-dimethyl-4-methylidenehex-2-enyl]-4-methylmorpholine.

Molecular Properties

Compound Name3-[(E)-2-ethenyl-1,1-difluoro-5,5-dimethyl-4-methylidenehex-2-enyl]-4-methylmorpholine
PubChem CID164919086
Molecular FormulaC16H25F2NO
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name3-[(E)-2-ethenyl-1,1-difluoro-5,5-dimethyl-4-methylidenehex-2-enyl]-4-methylmorpholine
SMILESC=C/C(=C\C(=C)C(C)(C)C)C(F)(F)C1COCCN1C
InChIInChI=1S/C16H25F2NO/c1-7-13(10-12(2)15(3,4)5)16(17,18)14-11-20-9-8-19(14)6/h7,10,14H,1-2,8-9,11H2,3-6H3/b13-10+
InChIKeyRMKLPSFKLKTQJR-JLHYYAGUSA-N
XLogP3.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 53.67
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 3-[(E)-2-ethenyl-1,1-difluoro-5,5-dimethyl-4-methylidenehex-2-enyl]-4-methylmorpholine?
The IUPAC name of 3-[(E)-2-ethenyl-1,1-difluoro-5,5-dimethyl-4-methylidenehex-2-enyl]-4-methylmorpholine (CID 164919086) is 3-[(E)-2-ethenyl-1,1-difluoro-5,5-dimethyl-4-methylidenehex-2-enyl]-4-methylmorpholine.
What is the SMILES notation for 3-[(E)-2-ethenyl-1,1-difluoro-5,5-dimethyl-4-methylidenehex-2-enyl]-4-methylmorpholine?
The canonical SMILES for 3-[(E)-2-ethenyl-1,1-difluoro-5,5-dimethyl-4-methylidenehex-2-enyl]-4-methylmorpholine is C=C/C(=C\C(=C)C(C)(C)C)C(F)(F)C1COCCN1C.
What is the InChIKey of 3-[(E)-2-ethenyl-1,1-difluoro-5,5-dimethyl-4-methylidenehex-2-enyl]-4-methylmorpholine?
The InChIKey is RMKLPSFKLKTQJR-JLHYYAGUSA-N. The full InChI is InChI=1S/C16H25F2NO/c1-7-13(10-12(2)15(3,4)5)16(17,18)14-11-20-9-8-19(14)6/h7,10,14H,1-2,8-9,11H2,3-6H3/b13-10+.
What are the key properties of 3-[(E)-2-ethenyl-1,1-difluoro-5,5-dimethyl-4-methylidenehex-2-enyl]-4-methylmorpholine?
3-[(E)-2-ethenyl-1,1-difluoro-5,5-dimethyl-4-methylidenehex-2-enyl]-4-methylmorpholine has a molecular weight of 285.38 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-ethenyl-1,1-difluoro-5,5-dimethyl-4-methylidenehex-2-enyl]-4-methylmorpholine is sourced from PubChem (CID 164919086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).