(2E,4Z,6E)-3-fluoro-6-methylocta-2,4,6-triene

C9H13F — CID 134192246

IUPAC(2E,4Z,6E)-3-fluoro-6-methylocta-2,4,6-triene
SMILESC/C=C(C)/C=C\C(F)=C/C
InChIInChI=1S/C9H13F/c1-4-8(3)6-7-9(10)5-2/h4-7H,1-3H3/b7-6-,8-4+,9-5+
InChIKeyGZEOMJQRCBKAPE-GCXMUOCOSA-N
MW140.20 g/mol
LogP3.38
Rot. Bonds2

About (2E,4Z,6E)-3-fluoro-6-methylocta-2,4,6-triene

(2E,4Z,6E)-3-fluoro-6-methylocta-2,4,6-triene (PubChem CID 134192246) has the molecular formula C9H13F and a molecular weight of 140.20 g/mol. Its IUPAC name is (2E,4Z,6E)-3-fluoro-6-methylocta-2,4,6-triene.

Molecular Properties

Compound Name(2E,4Z,6E)-3-fluoro-6-methylocta-2,4,6-triene
PubChem CID134192246
Molecular FormulaC9H13F
Molecular Weight140.20 g/mol
Exact Mass140.10
IUPAC Name(2E,4Z,6E)-3-fluoro-6-methylocta-2,4,6-triene
SMILESC/C=C(C)/C=C\C(F)=C/C
InChIInChI=1S/C9H13F/c1-4-8(3)6-7-9(10)5-2/h4-7H,1-3H3/b7-6-,8-4+,9-5+
InChIKeyGZEOMJQRCBKAPE-GCXMUOCOSA-N
XLogP3.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.20
LogP ≤ 53.38
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 (2E,4Z,6E)-3-fluoro-6-methylocta-2,4,6-triene?
The IUPAC name of (2E,4Z,6E)-3-fluoro-6-methylocta-2,4,6-triene (CID 134192246) is (2E,4Z,6E)-3-fluoro-6-methylocta-2,4,6-triene.
What is the SMILES notation for (2E,4Z,6E)-3-fluoro-6-methylocta-2,4,6-triene?
The canonical SMILES for (2E,4Z,6E)-3-fluoro-6-methylocta-2,4,6-triene is C/C=C(C)/C=C\C(F)=C/C.
What is the InChIKey of (2E,4Z,6E)-3-fluoro-6-methylocta-2,4,6-triene?
The InChIKey is GZEOMJQRCBKAPE-GCXMUOCOSA-N. The full InChI is InChI=1S/C9H13F/c1-4-8(3)6-7-9(10)5-2/h4-7H,1-3H3/b7-6-,8-4+,9-5+.
What are the key properties of (2E,4Z,6E)-3-fluoro-6-methylocta-2,4,6-triene?
(2E,4Z,6E)-3-fluoro-6-methylocta-2,4,6-triene has a molecular weight of 140.20 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,6E)-3-fluoro-6-methylocta-2,4,6-triene is sourced from PubChem (CID 134192246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).