(4Z,6Z)-8-fluoro-5-methylnona-1,2,4,6-tetraene

C10H13F — CID 155483785

IUPAC(4Z,6Z)-8-fluoro-5-methylnona-1,2,4,6-tetraene
SMILESC=C=C/C=C(C)\C=C/C(C)F
InChIInChI=1S/C10H13F/c1-4-5-6-9(2)7-8-10(3)11/h5-8,10H,1H2,2-3H3/b8-7-,9-6-
InChIKeyBCPBLICQYFOYNY-QOCNPQIPSA-N
MW152.21 g/mol
LogP3.19
Rot. Bonds3

About (4Z,6Z)-8-fluoro-5-methylnona-1,2,4,6-tetraene

(4Z,6Z)-8-fluoro-5-methylnona-1,2,4,6-tetraene (PubChem CID 155483785) has the molecular formula C10H13F and a molecular weight of 152.21 g/mol. Its IUPAC name is (4Z,6Z)-8-fluoro-5-methylnona-1,2,4,6-tetraene.

Molecular Properties

Compound Name(4Z,6Z)-8-fluoro-5-methylnona-1,2,4,6-tetraene
PubChem CID155483785
Molecular FormulaC10H13F
Molecular Weight152.21 g/mol
Exact Mass152.10
IUPAC Name(4Z,6Z)-8-fluoro-5-methylnona-1,2,4,6-tetraene
SMILESC=C=C/C=C(C)\C=C/C(C)F
InChIInChI=1S/C10H13F/c1-4-5-6-9(2)7-8-10(3)11/h5-8,10H,1H2,2-3H3/b8-7-,9-6-
InChIKeyBCPBLICQYFOYNY-QOCNPQIPSA-N
XLogP3.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.21
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z,6Z)-8-fluoro-5-methylnona-1,2,4,6-tetraene?
The IUPAC name of (4Z,6Z)-8-fluoro-5-methylnona-1,2,4,6-tetraene (CID 155483785) is (4Z,6Z)-8-fluoro-5-methylnona-1,2,4,6-tetraene.
What is the SMILES notation for (4Z,6Z)-8-fluoro-5-methylnona-1,2,4,6-tetraene?
The canonical SMILES for (4Z,6Z)-8-fluoro-5-methylnona-1,2,4,6-tetraene is C=C=C/C=C(C)\C=C/C(C)F.
What is the InChIKey of (4Z,6Z)-8-fluoro-5-methylnona-1,2,4,6-tetraene?
The InChIKey is BCPBLICQYFOYNY-QOCNPQIPSA-N. The full InChI is InChI=1S/C10H13F/c1-4-5-6-9(2)7-8-10(3)11/h5-8,10H,1H2,2-3H3/b8-7-,9-6-.
What are the key properties of (4Z,6Z)-8-fluoro-5-methylnona-1,2,4,6-tetraene?
(4Z,6Z)-8-fluoro-5-methylnona-1,2,4,6-tetraene has a molecular weight of 152.21 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-8-fluoro-5-methylnona-1,2,4,6-tetraene is sourced from PubChem (CID 155483785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).