4-[(4Z)-4,5-difluoro-2,6-dimethylhepta-2,4,6-trien-3-yl]-2,6-dimethylmorpholine;ethane

C17H29F2NO — CID 143325415

IUPAC4-[(4Z)-4,5-difluoro-2,6-dimethylhepta-2,4,6-trien-3-yl]-2,6-dimethylmorpholine;ethane
SMILESC=C(C)/C(F)=C(\F)C(=C(C)C)N1CC(C)OC(C)C1.CC
InChIInChI=1S/C15H23F2NO.C2H6/c1-9(2)13(16)14(17)15(10(3)4)18-7-11(5)19-12(6)8-18;1-2/h11-12H,1,7-8H2,2-6H3;1-2H3/b14-13-;
InChIKeySVXWSSDIVCSODM-HPWRNOGASA-N
MW301.42 g/mol
LogP5.14
Rot. Bonds3

About 4-[(4Z)-4,5-difluoro-2,6-dimethylhepta-2,4,6-trien-3-yl]-2,6-dimethylmorpholine;ethane

4-[(4Z)-4,5-difluoro-2,6-dimethylhepta-2,4,6-trien-3-yl]-2,6-dimethylmorpholine;ethane (PubChem CID 143325415) has the molecular formula C17H29F2NO and a molecular weight of 301.42 g/mol. Its IUPAC name is 4-[(4Z)-4,5-difluoro-2,6-dimethylhepta-2,4,6-trien-3-yl]-2,6-dimethylmorpholine;ethane.

Molecular Properties

Compound Name4-[(4Z)-4,5-difluoro-2,6-dimethylhepta-2,4,6-trien-3-yl]-2,6-dimethylmorpholine;ethane
PubChem CID143325415
Molecular FormulaC17H29F2NO
Molecular Weight301.42 g/mol
Exact Mass301.22
IUPAC Name4-[(4Z)-4,5-difluoro-2,6-dimethylhepta-2,4,6-trien-3-yl]-2,6-dimethylmorpholine;ethane
SMILESC=C(C)/C(F)=C(\F)C(=C(C)C)N1CC(C)OC(C)C1.CC
InChIInChI=1S/C15H23F2NO.C2H6/c1-9(2)13(16)14(17)15(10(3)4)18-7-11(5)19-12(6)8-18;1-2/h11-12H,1,7-8H2,2-6H3;1-2H3/b14-13-;
InChIKeySVXWSSDIVCSODM-HPWRNOGASA-N
XLogP5.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.42
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(4Z)-4,5-difluoro-2,6-dimethylhepta-2,4,6-trien-3-yl]-2,6-dimethylmorpholine;ethane with MolForge

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Related Compounds

1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 3361054
2,6-dimethyl-4-[(2E)-penta-2,4-dien-2-yl]morpholine;ethane
CID 143325399
2-bromo-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 53216148
1-(2,6-dimethylmorpholin-4-yl)propane-1,2-dione
CID 131176238
(2S,6S)-2,6-dimethylmorpholine-4-carboxylic acid
CID 137442866
2,6-dimethylmorpholine-4-carboxylic acid
CID 22047773
2,6-dimethylmorpholine-4-carbonyl chloride
CID 19080228
1-(2,7-dimethyl-1,4-oxazepan-4-yl)ethanone
CID 146290513
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methylbut-2-en-1-one
CID 52520989
ethane;(2S,6R)-2,4,6-trimethylmorpholine
CID 142013694
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,2-dimethylpropan-1-imine
CID 104961271
1-(2,6-dimethylmorpholin-4-yl)-3,3,3-trifluoropropan-1-one
CID 51076738

Frequently Asked Questions

What is the IUPAC name of 4-[(4Z)-4,5-difluoro-2,6-dimethylhepta-2,4,6-trien-3-yl]-2,6-dimethylmorpholine;ethane?
The IUPAC name of 4-[(4Z)-4,5-difluoro-2,6-dimethylhepta-2,4,6-trien-3-yl]-2,6-dimethylmorpholine;ethane (CID 143325415) is 4-[(4Z)-4,5-difluoro-2,6-dimethylhepta-2,4,6-trien-3-yl]-2,6-dimethylmorpholine;ethane.
What is the SMILES notation for 4-[(4Z)-4,5-difluoro-2,6-dimethylhepta-2,4,6-trien-3-yl]-2,6-dimethylmorpholine;ethane?
The canonical SMILES for 4-[(4Z)-4,5-difluoro-2,6-dimethylhepta-2,4,6-trien-3-yl]-2,6-dimethylmorpholine;ethane is C=C(C)/C(F)=C(\F)C(=C(C)C)N1CC(C)OC(C)C1.CC.
What is the InChIKey of 4-[(4Z)-4,5-difluoro-2,6-dimethylhepta-2,4,6-trien-3-yl]-2,6-dimethylmorpholine;ethane?
The InChIKey is SVXWSSDIVCSODM-HPWRNOGASA-N. The full InChI is InChI=1S/C15H23F2NO.C2H6/c1-9(2)13(16)14(17)15(10(3)4)18-7-11(5)19-12(6)8-18;1-2/h11-12H,1,7-8H2,2-6H3;1-2H3/b14-13-;.
What are the key properties of 4-[(4Z)-4,5-difluoro-2,6-dimethylhepta-2,4,6-trien-3-yl]-2,6-dimethylmorpholine;ethane?
4-[(4Z)-4,5-difluoro-2,6-dimethylhepta-2,4,6-trien-3-yl]-2,6-dimethylmorpholine;ethane has a molecular weight of 301.42 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4Z)-4,5-difluoro-2,6-dimethylhepta-2,4,6-trien-3-yl]-2,6-dimethylmorpholine;ethane is sourced from PubChem (CID 143325415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).