(3E,6E)-3-fluoro-6,9-dimethyl-5-methylidenedeca-1,3,6-triene

Name: (3E,6E)-3-fluoro-6,9-dimethyl-5-methylidenedeca-1,3,6-triene — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₁₉F — CID 143772459

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(3E,6E)-3-fluoro-6,9-dimethyl-5-methylidenedeca-1,3,6-triene

SMILESC=C/C(F)=C\C(=C)/C(C)=C/CC(C)C

InChIInChI=1S/C13H19F/c1-6-13(14)9-12(5)11(4)8-7-10(2)3/h6,8-10H,1,5,7H2,2-4H3/b11-8+,13-9+

InChIKeyMHVAIAZCUOQGKH-BLTLMDCKSA-N

MW194.29 g/mol

LogP4.57

Rot. Bonds5

About (3E,6E)-3-fluoro-6,9-dimethyl-5-methylidenedeca-1,3,6-triene

(3E,6E)-3-fluoro-6,9-dimethyl-5-methylidenedeca-1,3,6-triene (PubChem CID 143772459) has the molecular formula C₁₃H₁₉F and a molecular weight of 194.29 g/mol. Its IUPAC name is (3E,6E)-3-fluoro-6,9-dimethyl-5-methylidenedeca-1,3,6-triene.

Molecular Properties

Compound Name	(3E,6E)-3-fluoro-6,9-dimethyl-5-methylidenedeca-1,3,6-triene
PubChem CID	143772459
Molecular Formula	C₁₃H₁₉F
Molecular Weight	194.29 g/mol
Exact Mass	194.15
IUPAC Name	(3E,6E)-3-fluoro-6,9-dimethyl-5-methylidenedeca-1,3,6-triene
SMILES	C=C/C(F)=C\C(=C)/C(C)=C/CC(C)C
InChI	InChI=1S/C13H19F/c1-6-13(14)9-12(5)11(4)8-7-10(2)3/h6,8-10H,1,5,7H2,2-4H3/b11-8+,13-9+
InChIKey	MHVAIAZCUOQGKH-BLTLMDCKSA-N
XLogP	4.57
TPSA	0.00 Å²
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds	5
Heavy Atoms	14
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	194.29
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3E,6E)-3-fluoro-6,9-dimethyl-5-methylidenedeca-1,3,6-triene?

The IUPAC name of (3E,6E)-3-fluoro-6,9-dimethyl-5-methylidenedeca-1,3,6-triene (CID 143772459) is (3E,6E)-3-fluoro-6,9-dimethyl-5-methylidenedeca-1,3,6-triene.

What is the SMILES notation for (3E,6E)-3-fluoro-6,9-dimethyl-5-methylidenedeca-1,3,6-triene?

The canonical SMILES for (3E,6E)-3-fluoro-6,9-dimethyl-5-methylidenedeca-1,3,6-triene is C=C/C(F)=C\C(=C)/C(C)=C/CC(C)C.

What is the InChIKey of (3E,6E)-3-fluoro-6,9-dimethyl-5-methylidenedeca-1,3,6-triene?

The InChIKey is MHVAIAZCUOQGKH-BLTLMDCKSA-N. The full InChI is InChI=1S/C13H19F/c1-6-13(14)9-12(5)11(4)8-7-10(2)3/h6,8-10H,1,5,7H2,2-4H3/b11-8+,13-9+.

What are the key properties of (3E,6E)-3-fluoro-6,9-dimethyl-5-methylidenedeca-1,3,6-triene?

(3E,6E)-3-fluoro-6,9-dimethyl-5-methylidenedeca-1,3,6-triene has a molecular weight of 194.29 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for (3E,6E)-3-fluoro-6,9-dimethyl-5-methylidenedeca-1,3,6-triene is sourced from PubChem (CID 143772459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 143772459 — identifiers, structure, computed properties (public domain)

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