6-ethylidene-2-fluoro-5-methylidenenona-1,3,7-triene

C12H15F — CID 123639498

IUPAC6-ethylidene-2-fluoro-5-methylidenenona-1,3,7-triene
SMILESC=C(F)C=CC(=C)C(C=CC)=CC
InChIInChI=1S/C12H15F/c1-5-7-12(6-2)10(3)8-9-11(4)13/h5-9H,3-4H2,1-2H3
InChIKeyDMTVJHNFKKTKFL-UHFFFAOYSA-N
MW178.25 g/mol
LogP4.10
Rot. Bonds4

About 6-ethylidene-2-fluoro-5-methylidenenona-1,3,7-triene

6-ethylidene-2-fluoro-5-methylidenenona-1,3,7-triene (PubChem CID 123639498) has the molecular formula C12H15F and a molecular weight of 178.25 g/mol. Its IUPAC name is 6-ethylidene-2-fluoro-5-methylidenenona-1,3,7-triene.

Molecular Properties

Compound Name6-ethylidene-2-fluoro-5-methylidenenona-1,3,7-triene
PubChem CID123639498
Molecular FormulaC12H15F
Molecular Weight178.25 g/mol
Exact Mass178.12
IUPAC Name6-ethylidene-2-fluoro-5-methylidenenona-1,3,7-triene
SMILESC=C(F)C=CC(=C)C(C=CC)=CC
InChIInChI=1S/C12H15F/c1-5-7-12(6-2)10(3)8-9-11(4)13/h5-9H,3-4H2,1-2H3
InChIKeyDMTVJHNFKKTKFL-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3Z,7Z)-2-fluoro-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 143485598
(3E,5Z)-2-fluoro-4-prop-1-en-2-ylhepta-1,3,5-triene
CID 144683889
(2Z,4E,5Z)-4-ethylidene-7-fluoroocta-2,5,7-trien-3-amine
CID 144654304
(3Z,4Z)-3-ethylidene-2-methylhexa-1,4-diene
CID 142964222
(3Z,5E)-5-bromo-2-fluorohepta-1,3,5-triene
CID 164594672
(3Z,7Z)-2-fluoro-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 143982603
2-fluoro-5-methoxyhepta-1,3,5-triene
CID 123941397
2-fluoro-5-nitrosohepta-1,3,5-triene
CID 123549824
(3Z,5Z)-3,4-difluoro-2-methylhepta-1,3,5-triene
CID 143399324
(4Z)-1,1-difluoro-3-methylidenehexa-1,4-diene
CID 144675274
ethene;(2E,4Z)-3-fluorohexa-2,4-diene
CID 143779998
(4E,6Z)-4-ethenyl-5-fluoro-3-methylideneocta-1,4,6-triene
CID 143567445

Frequently Asked Questions

What is the IUPAC name of 6-ethylidene-2-fluoro-5-methylidenenona-1,3,7-triene?
The IUPAC name of 6-ethylidene-2-fluoro-5-methylidenenona-1,3,7-triene (CID 123639498) is 6-ethylidene-2-fluoro-5-methylidenenona-1,3,7-triene.
What is the SMILES notation for 6-ethylidene-2-fluoro-5-methylidenenona-1,3,7-triene?
The canonical SMILES for 6-ethylidene-2-fluoro-5-methylidenenona-1,3,7-triene is C=C(F)C=CC(=C)C(C=CC)=CC.
What is the InChIKey of 6-ethylidene-2-fluoro-5-methylidenenona-1,3,7-triene?
The InChIKey is DMTVJHNFKKTKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F/c1-5-7-12(6-2)10(3)8-9-11(4)13/h5-9H,3-4H2,1-2H3.
What are the key properties of 6-ethylidene-2-fluoro-5-methylidenenona-1,3,7-triene?
6-ethylidene-2-fluoro-5-methylidenenona-1,3,7-triene has a molecular weight of 178.25 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylidene-2-fluoro-5-methylidenenona-1,3,7-triene is sourced from PubChem (CID 123639498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).