(3Z,5Z)-4-fluoro-3-methylocta-1,3,5,7-tetraene

C9H11F — CID 89117522

IUPAC(3Z,5Z)-4-fluoro-3-methylocta-1,3,5,7-tetraene
SMILESC=C/C=C\C(F)=C(/C)C=C
InChIInChI=1S/C9H11F/c1-4-6-7-9(10)8(3)5-2/h4-7H,1-2H2,3H3/b7-6-,9-8-
InChIKeyRAWLCJKCOXZERT-JPDBVBESSA-N
MW138.18 g/mol
LogP3.16
Rot. Bonds3

About (3Z,5Z)-4-fluoro-3-methylocta-1,3,5,7-tetraene

(3Z,5Z)-4-fluoro-3-methylocta-1,3,5,7-tetraene (PubChem CID 89117522) has the molecular formula C9H11F and a molecular weight of 138.18 g/mol. Its IUPAC name is (3Z,5Z)-4-fluoro-3-methylocta-1,3,5,7-tetraene.

Molecular Properties

Compound Name(3Z,5Z)-4-fluoro-3-methylocta-1,3,5,7-tetraene
PubChem CID89117522
Molecular FormulaC9H11F
Molecular Weight138.18 g/mol
Exact Mass138.08
IUPAC Name(3Z,5Z)-4-fluoro-3-methylocta-1,3,5,7-tetraene
SMILESC=C/C=C\C(F)=C(/C)C=C
InChIInChI=1S/C9H11F/c1-4-6-7-9(10)8(3)5-2/h4-7H,1-2H2,3H3/b7-6-,9-8-
InChIKeyRAWLCJKCOXZERT-JPDBVBESSA-N
XLogP3.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.18
LogP ≤ 53.16
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 (3Z,5Z)-4-fluoro-3-methylocta-1,3,5,7-tetraene?
The IUPAC name of (3Z,5Z)-4-fluoro-3-methylocta-1,3,5,7-tetraene (CID 89117522) is (3Z,5Z)-4-fluoro-3-methylocta-1,3,5,7-tetraene.
What is the SMILES notation for (3Z,5Z)-4-fluoro-3-methylocta-1,3,5,7-tetraene?
The canonical SMILES for (3Z,5Z)-4-fluoro-3-methylocta-1,3,5,7-tetraene is C=C/C=C\C(F)=C(/C)C=C.
What is the InChIKey of (3Z,5Z)-4-fluoro-3-methylocta-1,3,5,7-tetraene?
The InChIKey is RAWLCJKCOXZERT-JPDBVBESSA-N. The full InChI is InChI=1S/C9H11F/c1-4-6-7-9(10)8(3)5-2/h4-7H,1-2H2,3H3/b7-6-,9-8-.
What are the key properties of (3Z,5Z)-4-fluoro-3-methylocta-1,3,5,7-tetraene?
(3Z,5Z)-4-fluoro-3-methylocta-1,3,5,7-tetraene has a molecular weight of 138.18 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-4-fluoro-3-methylocta-1,3,5,7-tetraene is sourced from PubChem (CID 89117522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).