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

C15H23F2NO — CID 143325416

IUPAC4-[(4Z)-4,5-difluoro-2,6-dimethylhepta-2,4,6-trien-3-yl]-2,6-dimethylmorpholine
SMILESC=C(C)/C(F)=C(\F)C(=C(C)C)N1CC(C)OC(C)C1
InChIInChI=1S/C15H23F2NO/c1-9(2)13(16)14(17)15(10(3)4)18-7-11(5)19-12(6)8-18/h11-12H,1,7-8H2,2-6H3/b14-13-
InChIKeyMQTGDBRGLWCYKP-YPKPFQOOSA-N
MW271.35 g/mol
LogP4.12
Rot. Bonds3

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

4-[(4Z)-4,5-difluoro-2,6-dimethylhepta-2,4,6-trien-3-yl]-2,6-dimethylmorpholine (PubChem CID 143325416) has the molecular formula C15H23F2NO and a molecular weight of 271.35 g/mol. Its IUPAC name is 4-[(4Z)-4,5-difluoro-2,6-dimethylhepta-2,4,6-trien-3-yl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[(4Z)-4,5-difluoro-2,6-dimethylhepta-2,4,6-trien-3-yl]-2,6-dimethylmorpholine
PubChem CID143325416
Molecular FormulaC15H23F2NO
Molecular Weight271.35 g/mol
Exact Mass271.17
IUPAC Name4-[(4Z)-4,5-difluoro-2,6-dimethylhepta-2,4,6-trien-3-yl]-2,6-dimethylmorpholine
SMILESC=C(C)/C(F)=C(\F)C(=C(C)C)N1CC(C)OC(C)C1
InChIInChI=1S/C15H23F2NO/c1-9(2)13(16)14(17)15(10(3)4)18-7-11(5)19-12(6)8-18/h11-12H,1,7-8H2,2-6H3/b14-13-
InChIKeyMQTGDBRGLWCYKP-YPKPFQOOSA-N
XLogP4.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 54.12
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

(2Z,4E)-7-(2,6-dimethylmorpholin-4-yl)-3-fluorohepta-2,4-dien-4-amine
CID 89073839
(2S,6R)-4-(2-fluorocyclohexa-1,5-dien-1-yl)-2,6-dimethylmorpholine
CID 141086244
4-[(2E,4E)-6-methyl-5-(trifluoromethyl)hepta-2,4,6-trien-3-yl]morpholine
CID 144253116
4-[(2Z,4Z)-2-fluoro-6-methylhepta-2,4,6-trien-3-yl]morpholine
CID 166687859
4-(5-Ethyl-7-fluorocyclohepta-1,4,6-trien-1-yl)morpholine
CID 167284429
4-[(4Z)-4,5-difluoro-2-methylhepta-2,4-dien-3-yl]-2,6-dimethylmorpholine
CID 143325462
4-[(3E)-4-(difluoromethyl)-5-methylhexa-1,3,5-trien-2-yl]morpholine
CID 143922304
4-[(2E,4Z,6E)-7-fluoro-5-methylhepta-2,4,6-trien-2-yl]-2,6-dimethylmorpholine
CID 144055899
4-[(E,4E)-4-ethylidene-5,5-difluoro-2-methylhept-2-enyl]morpholine
CID 144997257
4-[(3E)-2-fluoro-5-methylhexa-1,3,5-trien-3-yl]morpholine
CID 145213590
2-Methyl-4-(4,4,5,5,5-pentafluoro-2-methylpent-2-en-3-yl)-6-(trifluoromethyl)morpholine
CID 160565386
(3E,5Z)-7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-methylhepta-1,3,5-trien-4-amine
CID 89073706

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?
The IUPAC name of 4-[(4Z)-4,5-difluoro-2,6-dimethylhepta-2,4,6-trien-3-yl]-2,6-dimethylmorpholine (CID 143325416) is 4-[(4Z)-4,5-difluoro-2,6-dimethylhepta-2,4,6-trien-3-yl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[(4Z)-4,5-difluoro-2,6-dimethylhepta-2,4,6-trien-3-yl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[(4Z)-4,5-difluoro-2,6-dimethylhepta-2,4,6-trien-3-yl]-2,6-dimethylmorpholine is C=C(C)/C(F)=C(\F)C(=C(C)C)N1CC(C)OC(C)C1.
What is the InChIKey of 4-[(4Z)-4,5-difluoro-2,6-dimethylhepta-2,4,6-trien-3-yl]-2,6-dimethylmorpholine?
The InChIKey is MQTGDBRGLWCYKP-YPKPFQOOSA-N. The full InChI is InChI=1S/C15H23F2NO/c1-9(2)13(16)14(17)15(10(3)4)18-7-11(5)19-12(6)8-18/h11-12H,1,7-8H2,2-6H3/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?
4-[(4Z)-4,5-difluoro-2,6-dimethylhepta-2,4,6-trien-3-yl]-2,6-dimethylmorpholine has a molecular weight of 271.35 g/mol, XLogP of 4.12, 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 is sourced from PubChem (CID 143325416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).