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

C14H21F2NO — CID 164919318

IUPAC2-[(E)-2-ethenyl-1,1-difluoro-5-methyl-4-methylidenehex-2-enyl]morpholine
SMILESC=C/C(=C\C(=C)C(C)C)C(F)(F)C1CNCCO1
InChIInChI=1S/C14H21F2NO/c1-5-12(8-11(4)10(2)3)14(15,16)13-9-17-6-7-18-13/h5,8,10,13,17H,1,4,6-7,9H2,2-3H3/b12-8+
InChIKeyWCEZGGNANRCDEU-XYOKQWHBSA-N
MW257.32 g/mol
LogP2.93
Rot. Bonds5

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

2-[(E)-2-ethenyl-1,1-difluoro-5-methyl-4-methylidenehex-2-enyl]morpholine (PubChem CID 164919318) has the molecular formula C14H21F2NO and a molecular weight of 257.32 g/mol. Its IUPAC name is 2-[(E)-2-ethenyl-1,1-difluoro-5-methyl-4-methylidenehex-2-enyl]morpholine.

Molecular Properties

Compound Name2-[(E)-2-ethenyl-1,1-difluoro-5-methyl-4-methylidenehex-2-enyl]morpholine
PubChem CID164919318
Molecular FormulaC14H21F2NO
Molecular Weight257.32 g/mol
Exact Mass257.16
IUPAC Name2-[(E)-2-ethenyl-1,1-difluoro-5-methyl-4-methylidenehex-2-enyl]morpholine
SMILESC=C/C(=C\C(=C)C(C)C)C(F)(F)C1CNCCO1
InChIInChI=1S/C14H21F2NO/c1-5-12(8-11(4)10(2)3)14(15,16)13-9-17-6-7-18-13/h5,8,10,13,17H,1,4,6-7,9H2,2-3H3/b12-8+
InChIKeyWCEZGGNANRCDEU-XYOKQWHBSA-N
XLogP2.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
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 2-[(E)-2-ethenyl-1,1-difluoro-5-methyl-4-methylidenehex-2-enyl]morpholine?
The IUPAC name of 2-[(E)-2-ethenyl-1,1-difluoro-5-methyl-4-methylidenehex-2-enyl]morpholine (CID 164919318) is 2-[(E)-2-ethenyl-1,1-difluoro-5-methyl-4-methylidenehex-2-enyl]morpholine.
What is the SMILES notation for 2-[(E)-2-ethenyl-1,1-difluoro-5-methyl-4-methylidenehex-2-enyl]morpholine?
The canonical SMILES for 2-[(E)-2-ethenyl-1,1-difluoro-5-methyl-4-methylidenehex-2-enyl]morpholine is C=C/C(=C\C(=C)C(C)C)C(F)(F)C1CNCCO1.
What is the InChIKey of 2-[(E)-2-ethenyl-1,1-difluoro-5-methyl-4-methylidenehex-2-enyl]morpholine?
The InChIKey is WCEZGGNANRCDEU-XYOKQWHBSA-N. The full InChI is InChI=1S/C14H21F2NO/c1-5-12(8-11(4)10(2)3)14(15,16)13-9-17-6-7-18-13/h5,8,10,13,17H,1,4,6-7,9H2,2-3H3/b12-8+.
What are the key properties of 2-[(E)-2-ethenyl-1,1-difluoro-5-methyl-4-methylidenehex-2-enyl]morpholine?
2-[(E)-2-ethenyl-1,1-difluoro-5-methyl-4-methylidenehex-2-enyl]morpholine has a molecular weight of 257.32 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 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]morpholine is sourced from PubChem (CID 164919318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).