(2E,4E,8E)-5-ethenyl-3-fluoro-8-methyldeca-2,4,8-trien-6-yne

C13H15F — CID 171074942

IUPAC(2E,4E,8E)-5-ethenyl-3-fluoro-8-methyldeca-2,4,8-trien-6-yne
SMILESC=C/C(C#C/C(C)=C/C)=C\C(F)=C/C
InChIInChI=1S/C13H15F/c1-5-11(4)8-9-12(6-2)10-13(14)7-3/h5-7,10H,2H2,1,3-4H3/b11-5+,12-10+,13-7+
InChIKeyGZDIMCFOLTZOMP-WUJCYSCDSA-N
MW190.26 g/mol
LogP3.94
Rot. Bonds2

About (2E,4E,8E)-5-ethenyl-3-fluoro-8-methyldeca-2,4,8-trien-6-yne

(2E,4E,8E)-5-ethenyl-3-fluoro-8-methyldeca-2,4,8-trien-6-yne (PubChem CID 171074942) has the molecular formula C13H15F and a molecular weight of 190.26 g/mol. Its IUPAC name is (2E,4E,8E)-5-ethenyl-3-fluoro-8-methyldeca-2,4,8-trien-6-yne.

Molecular Properties

Compound Name(2E,4E,8E)-5-ethenyl-3-fluoro-8-methyldeca-2,4,8-trien-6-yne
PubChem CID171074942
Molecular FormulaC13H15F
Molecular Weight190.26 g/mol
Exact Mass190.12
IUPAC Name(2E,4E,8E)-5-ethenyl-3-fluoro-8-methyldeca-2,4,8-trien-6-yne
SMILESC=C/C(C#C/C(C)=C/C)=C\C(F)=C/C
InChIInChI=1S/C13H15F/c1-5-11(4)8-9-12(6-2)10-13(14)7-3/h5-7,10H,2H2,1,3-4H3/b11-5+,12-10+,13-7+
InChIKeyGZDIMCFOLTZOMP-WUJCYSCDSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1E,3Z)-1-fluoro-4-methylhexa-1,3,5-triene
CID 57762724
(3Z,5Z)-7-fluoro-4-methylhepta-3,5-dien-1-yne
CID 88254572
(3Z)-2-fluoro-3-methylhexa-1,3,5-triene
CID 88916017
(3Z,5Z)-4-fluoro-3-methylocta-1,3,5,7-tetraene
CID 89117522
5-Fluoro-2-prop-1-ynylcyclohexa-1,3-diene
CID 89176308
(3Z,5E)-6-fluoro-3-methylhepta-1,3,5-triene
CID 89180612
(1E,3Z,5Z)-1-fluoro-3-methylhepta-1,3,5-triene
CID 89196585
(1Z,3Z,5E)-1,2-difluoro-3-methylhepta-1,3,5-triene
CID 89227259
(3Z,5Z)-2-fluoro-3-methylhepta-1,3,5-triene
CID 89229530
(3Z)-5-fluoro-3,6-dimethylhepta-1,3,5-triene
CID 89247549
(3E,5Z)-4-fluoro-3-methylhepta-1,3,5-triene
CID 89331455
(1Z,3Z,5E)-1-fluoro-3-methylhepta-1,3,5-triene
CID 89402474

Frequently Asked Questions

What is the IUPAC name of (2E,4E,8E)-5-ethenyl-3-fluoro-8-methyldeca-2,4,8-trien-6-yne?
The IUPAC name of (2E,4E,8E)-5-ethenyl-3-fluoro-8-methyldeca-2,4,8-trien-6-yne (CID 171074942) is (2E,4E,8E)-5-ethenyl-3-fluoro-8-methyldeca-2,4,8-trien-6-yne.
What is the SMILES notation for (2E,4E,8E)-5-ethenyl-3-fluoro-8-methyldeca-2,4,8-trien-6-yne?
The canonical SMILES for (2E,4E,8E)-5-ethenyl-3-fluoro-8-methyldeca-2,4,8-trien-6-yne is C=C/C(C#C/C(C)=C/C)=C\C(F)=C/C.
What is the InChIKey of (2E,4E,8E)-5-ethenyl-3-fluoro-8-methyldeca-2,4,8-trien-6-yne?
The InChIKey is GZDIMCFOLTZOMP-WUJCYSCDSA-N. The full InChI is InChI=1S/C13H15F/c1-5-11(4)8-9-12(6-2)10-13(14)7-3/h5-7,10H,2H2,1,3-4H3/b11-5+,12-10+,13-7+.
What are the key properties of (2E,4E,8E)-5-ethenyl-3-fluoro-8-methyldeca-2,4,8-trien-6-yne?
(2E,4E,8E)-5-ethenyl-3-fluoro-8-methyldeca-2,4,8-trien-6-yne has a molecular weight of 190.26 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,8E)-5-ethenyl-3-fluoro-8-methyldeca-2,4,8-trien-6-yne is sourced from PubChem (CID 171074942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).