N-[(3Z,5Z)-4-fluoro-3-methylocta-3,5-dienyl]-3-methyl-2-prop-1-en-2-ylbut-2-en-1-imine

C17H26FN — CID 174262416

IUPACN-[(3Z,5Z)-4-fluoro-3-methylocta-3,5-dienyl]-3-methyl-2-prop-1-en-2-ylbut-2-en-1-imine
SMILESC=C(C)C(/C=N/CC/C(C)=C(F)/C=C\CC)=C(C)C
InChIInChI=1S/C17H26FN/c1-7-8-9-17(18)15(6)10-11-19-12-16(13(2)3)14(4)5/h8-9,12H,2,7,10-11H2,1,3-6H3/b9-8-,17-15-,19-12+
InChIKeySYXDLNJOJNOEAJ-JOZLUHLWSA-N
MW263.40 g/mol
LogP5.57
Rot. Bonds7

About N-[(3Z,5Z)-4-fluoro-3-methylocta-3,5-dienyl]-3-methyl-2-prop-1-en-2-ylbut-2-en-1-imine

N-[(3Z,5Z)-4-fluoro-3-methylocta-3,5-dienyl]-3-methyl-2-prop-1-en-2-ylbut-2-en-1-imine (PubChem CID 174262416) has the molecular formula C17H26FN and a molecular weight of 263.40 g/mol. Its IUPAC name is N-[(3Z,5Z)-4-fluoro-3-methylocta-3,5-dienyl]-3-methyl-2-prop-1-en-2-ylbut-2-en-1-imine.

Molecular Properties

Compound NameN-[(3Z,5Z)-4-fluoro-3-methylocta-3,5-dienyl]-3-methyl-2-prop-1-en-2-ylbut-2-en-1-imine
PubChem CID174262416
Molecular FormulaC17H26FN
Molecular Weight263.40 g/mol
Exact Mass263.20
IUPAC NameN-[(3Z,5Z)-4-fluoro-3-methylocta-3,5-dienyl]-3-methyl-2-prop-1-en-2-ylbut-2-en-1-imine
SMILESC=C(C)C(/C=N/CC/C(C)=C(F)/C=C\CC)=C(C)C
InChIInChI=1S/C17H26FN/c1-7-8-9-17(18)15(6)10-11-19-12-16(13(2)3)14(4)5/h8-9,12H,2,7,10-11H2,1,3-6H3/b9-8-,17-15-,19-12+
InChIKeySYXDLNJOJNOEAJ-JOZLUHLWSA-N
XLogP5.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.40
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3Z,5Z)-4-fluoro-3-methylocta-3,5-dienyl]-3-methyl-2-prop-1-en-2-ylbut-2-en-1-imine?
The IUPAC name of N-[(3Z,5Z)-4-fluoro-3-methylocta-3,5-dienyl]-3-methyl-2-prop-1-en-2-ylbut-2-en-1-imine (CID 174262416) is N-[(3Z,5Z)-4-fluoro-3-methylocta-3,5-dienyl]-3-methyl-2-prop-1-en-2-ylbut-2-en-1-imine.
What is the SMILES notation for N-[(3Z,5Z)-4-fluoro-3-methylocta-3,5-dienyl]-3-methyl-2-prop-1-en-2-ylbut-2-en-1-imine?
The canonical SMILES for N-[(3Z,5Z)-4-fluoro-3-methylocta-3,5-dienyl]-3-methyl-2-prop-1-en-2-ylbut-2-en-1-imine is C=C(C)C(/C=N/CC/C(C)=C(F)/C=C\CC)=C(C)C.
What is the InChIKey of N-[(3Z,5Z)-4-fluoro-3-methylocta-3,5-dienyl]-3-methyl-2-prop-1-en-2-ylbut-2-en-1-imine?
The InChIKey is SYXDLNJOJNOEAJ-JOZLUHLWSA-N. The full InChI is InChI=1S/C17H26FN/c1-7-8-9-17(18)15(6)10-11-19-12-16(13(2)3)14(4)5/h8-9,12H,2,7,10-11H2,1,3-6H3/b9-8-,17-15-,19-12+.
What are the key properties of N-[(3Z,5Z)-4-fluoro-3-methylocta-3,5-dienyl]-3-methyl-2-prop-1-en-2-ylbut-2-en-1-imine?
N-[(3Z,5Z)-4-fluoro-3-methylocta-3,5-dienyl]-3-methyl-2-prop-1-en-2-ylbut-2-en-1-imine has a molecular weight of 263.40 g/mol, XLogP of 5.57, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,5Z)-4-fluoro-3-methylocta-3,5-dienyl]-3-methyl-2-prop-1-en-2-ylbut-2-en-1-imine is sourced from PubChem (CID 174262416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).