(5Z)-5-fluoro-2,7-dimethyl-N-[(Z)-pent-2-en-2-yl]octa-1,5-dien-4-imine

C15H24FN — CID 174292959

IUPAC(5Z)-5-fluoro-2,7-dimethyl-N-[(Z)-pent-2-en-2-yl]octa-1,5-dien-4-imine
SMILESC=C(C)CC(=N/C(C)=C\CC)/C(F)=C/C(C)C
InChIInChI=1S/C15H24FN/c1-7-8-13(6)17-15(10-12(4)5)14(16)9-11(2)3/h8-9,11H,4,7,10H2,1-3,5-6H3/b13-8-,14-9-,17-15-
InChIKeyGVSQYVMRSZOOFJ-OBHBJZIXSA-N
MW237.36 g/mol
LogP5.22
Rot. Bonds6

About (5Z)-5-fluoro-2,7-dimethyl-N-[(Z)-pent-2-en-2-yl]octa-1,5-dien-4-imine

(5Z)-5-fluoro-2,7-dimethyl-N-[(Z)-pent-2-en-2-yl]octa-1,5-dien-4-imine (PubChem CID 174292959) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is (5Z)-5-fluoro-2,7-dimethyl-N-[(Z)-pent-2-en-2-yl]octa-1,5-dien-4-imine.

Molecular Properties

Compound Name(5Z)-5-fluoro-2,7-dimethyl-N-[(Z)-pent-2-en-2-yl]octa-1,5-dien-4-imine
PubChem CID174292959
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC Name(5Z)-5-fluoro-2,7-dimethyl-N-[(Z)-pent-2-en-2-yl]octa-1,5-dien-4-imine
SMILESC=C(C)CC(=N/C(C)=C\CC)/C(F)=C/C(C)C
InChIInChI=1S/C15H24FN/c1-7-8-13(6)17-15(10-12(4)5)14(16)9-11(2)3/h8-9,11H,4,7,10H2,1-3,5-6H3/b13-8-,14-9-,17-15-
InChIKeyGVSQYVMRSZOOFJ-OBHBJZIXSA-N
XLogP5.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500237.36
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-fluoro-2,7-dimethyl-N-[(Z)-pent-2-en-2-yl]octa-1,5-dien-4-imine?
The IUPAC name of (5Z)-5-fluoro-2,7-dimethyl-N-[(Z)-pent-2-en-2-yl]octa-1,5-dien-4-imine (CID 174292959) is (5Z)-5-fluoro-2,7-dimethyl-N-[(Z)-pent-2-en-2-yl]octa-1,5-dien-4-imine.
What is the SMILES notation for (5Z)-5-fluoro-2,7-dimethyl-N-[(Z)-pent-2-en-2-yl]octa-1,5-dien-4-imine?
The canonical SMILES for (5Z)-5-fluoro-2,7-dimethyl-N-[(Z)-pent-2-en-2-yl]octa-1,5-dien-4-imine is C=C(C)CC(=N/C(C)=C\CC)/C(F)=C/C(C)C.
What is the InChIKey of (5Z)-5-fluoro-2,7-dimethyl-N-[(Z)-pent-2-en-2-yl]octa-1,5-dien-4-imine?
The InChIKey is GVSQYVMRSZOOFJ-OBHBJZIXSA-N. The full InChI is InChI=1S/C15H24FN/c1-7-8-13(6)17-15(10-12(4)5)14(16)9-11(2)3/h8-9,11H,4,7,10H2,1-3,5-6H3/b13-8-,14-9-,17-15-.
What are the key properties of (5Z)-5-fluoro-2,7-dimethyl-N-[(Z)-pent-2-en-2-yl]octa-1,5-dien-4-imine?
(5Z)-5-fluoro-2,7-dimethyl-N-[(Z)-pent-2-en-2-yl]octa-1,5-dien-4-imine has a molecular weight of 237.36 g/mol, XLogP of 5.22, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-fluoro-2,7-dimethyl-N-[(Z)-pent-2-en-2-yl]octa-1,5-dien-4-imine is sourced from PubChem (CID 174292959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).