4-cyclopropyl-2-[(Z)-2-ethenyl-1,1,3-trifluoro-5-methyl-4-methylidenehept-2-enyl]morpholine

C18H26F3NO — CID 166129889

IUPAC4-cyclopropyl-2-[(Z)-2-ethenyl-1,1,3-trifluoro-5-methyl-4-methylidenehept-2-enyl]morpholine
SMILESC=C/C(=C(/F)C(=C)C(C)CC)C(F)(F)C1CN(C2CC2)CCO1
InChIInChI=1S/C18H26F3NO/c1-5-12(3)13(4)17(19)15(6-2)18(20,21)16-11-22(9-10-23-16)14-7-8-14/h6,12,14,16H,2,4-5,7-11H2,1,3H3/b17-15-
InChIKeyFLMVNXHNDWEMKJ-ICFOKQHNSA-N
MW329.41 g/mol
LogP4.50
Rot. Bonds7

About 4-cyclopropyl-2-[(Z)-2-ethenyl-1,1,3-trifluoro-5-methyl-4-methylidenehept-2-enyl]morpholine

4-cyclopropyl-2-[(Z)-2-ethenyl-1,1,3-trifluoro-5-methyl-4-methylidenehept-2-enyl]morpholine (PubChem CID 166129889) has the molecular formula C18H26F3NO and a molecular weight of 329.41 g/mol. Its IUPAC name is 4-cyclopropyl-2-[(Z)-2-ethenyl-1,1,3-trifluoro-5-methyl-4-methylidenehept-2-enyl]morpholine.

Molecular Properties

Compound Name4-cyclopropyl-2-[(Z)-2-ethenyl-1,1,3-trifluoro-5-methyl-4-methylidenehept-2-enyl]morpholine
PubChem CID166129889
Molecular FormulaC18H26F3NO
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC Name4-cyclopropyl-2-[(Z)-2-ethenyl-1,1,3-trifluoro-5-methyl-4-methylidenehept-2-enyl]morpholine
SMILESC=C/C(=C(/F)C(=C)C(C)CC)C(F)(F)C1CN(C2CC2)CCO1
InChIInChI=1S/C18H26F3NO/c1-5-12(3)13(4)17(19)15(6-2)18(20,21)16-11-22(9-10-23-16)14-7-8-14/h6,12,14,16H,2,4-5,7-11H2,1,3H3/b17-15-
InChIKeyFLMVNXHNDWEMKJ-ICFOKQHNSA-N
XLogP4.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 54.50
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 4-cyclopropyl-2-[(Z)-2-ethenyl-1,1,3-trifluoro-5-methyl-4-methylidenehept-2-enyl]morpholine?
The IUPAC name of 4-cyclopropyl-2-[(Z)-2-ethenyl-1,1,3-trifluoro-5-methyl-4-methylidenehept-2-enyl]morpholine (CID 166129889) is 4-cyclopropyl-2-[(Z)-2-ethenyl-1,1,3-trifluoro-5-methyl-4-methylidenehept-2-enyl]morpholine.
What is the SMILES notation for 4-cyclopropyl-2-[(Z)-2-ethenyl-1,1,3-trifluoro-5-methyl-4-methylidenehept-2-enyl]morpholine?
The canonical SMILES for 4-cyclopropyl-2-[(Z)-2-ethenyl-1,1,3-trifluoro-5-methyl-4-methylidenehept-2-enyl]morpholine is C=C/C(=C(/F)C(=C)C(C)CC)C(F)(F)C1CN(C2CC2)CCO1.
What is the InChIKey of 4-cyclopropyl-2-[(Z)-2-ethenyl-1,1,3-trifluoro-5-methyl-4-methylidenehept-2-enyl]morpholine?
The InChIKey is FLMVNXHNDWEMKJ-ICFOKQHNSA-N. The full InChI is InChI=1S/C18H26F3NO/c1-5-12(3)13(4)17(19)15(6-2)18(20,21)16-11-22(9-10-23-16)14-7-8-14/h6,12,14,16H,2,4-5,7-11H2,1,3H3/b17-15-.
What are the key properties of 4-cyclopropyl-2-[(Z)-2-ethenyl-1,1,3-trifluoro-5-methyl-4-methylidenehept-2-enyl]morpholine?
4-cyclopropyl-2-[(Z)-2-ethenyl-1,1,3-trifluoro-5-methyl-4-methylidenehept-2-enyl]morpholine has a molecular weight of 329.41 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-[(Z)-2-ethenyl-1,1,3-trifluoro-5-methyl-4-methylidenehept-2-enyl]morpholine is sourced from PubChem (CID 166129889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).