(3E,4Z,7E)-3-ethylidene-7-[(Z)-2-fluoroethenyl]-2-methyl-6-methylidenedeca-1,4,7-triene

C16H21F — CID 126710295

IUPAC(3E,4Z,7E)-3-ethylidene-7-[(Z)-2-fluoroethenyl]-2-methyl-6-methylidenedeca-1,4,7-triene
SMILESC=C(/C=C/C(=C\C)C(=C)C)C(/C=C\F)=C/CC
InChIInChI=1S/C16H21F/c1-6-8-16(11-12-17)14(5)9-10-15(7-2)13(3)4/h7-12H,3,5-6H2,1-2,4H3/b10-9-,12-11-,15-7+,16-8+
InChIKeySFNPMWURUWLHPC-CDFCSAHJSA-N
MW232.34 g/mol
LogP5.44
Rot. Bonds6

About (3E,4Z,7E)-3-ethylidene-7-[(Z)-2-fluoroethenyl]-2-methyl-6-methylidenedeca-1,4,7-triene

(3E,4Z,7E)-3-ethylidene-7-[(Z)-2-fluoroethenyl]-2-methyl-6-methylidenedeca-1,4,7-triene (PubChem CID 126710295) has the molecular formula C16H21F and a molecular weight of 232.34 g/mol. Its IUPAC name is (3E,4Z,7E)-3-ethylidene-7-[(Z)-2-fluoroethenyl]-2-methyl-6-methylidenedeca-1,4,7-triene.

Molecular Properties

Compound Name(3E,4Z,7E)-3-ethylidene-7-[(Z)-2-fluoroethenyl]-2-methyl-6-methylidenedeca-1,4,7-triene
PubChem CID126710295
Molecular FormulaC16H21F
Molecular Weight232.34 g/mol
Exact Mass232.16
IUPAC Name(3E,4Z,7E)-3-ethylidene-7-[(Z)-2-fluoroethenyl]-2-methyl-6-methylidenedeca-1,4,7-triene
SMILESC=C(/C=C/C(=C\C)C(=C)C)C(/C=C\F)=C/CC
InChIInChI=1S/C16H21F/c1-6-8-16(11-12-17)14(5)9-10-15(7-2)13(3)4/h7-12H,3,5-6H2,1-2,4H3/b10-9-,12-11-,15-7+,16-8+
InChIKeySFNPMWURUWLHPC-CDFCSAHJSA-N
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.34
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3E,4Z,7E)-3-ethylidene-7-[(Z)-2-fluoroethenyl]-2-methyl-6-methylidenedeca-1,4,7-triene with MolForge

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Related Compounds

5-(3-fluoroprop-1-enyl)-4-methylideneocta-2,5-diene
CID 123446720
(3Z,4Z)-3-ethylidene-2-methylhexa-1,4-diene
CID 142964222
(3E,4E)-3-ethylidene-4-methylhepta-1,4-diene
CID 143688525
4-ethylidene-5-methylocta-2,5-diene
CID 123325862
3-ethylidene-2,6-dimethylocta-1,4-diene
CID 90690181
(2E,4E,6E,7Z)-5-ethyl-2-methyl-9-methylidene-6-propylidenedeca-2,4,7-trienediamide
CID 174295946
but-1-ene;2-methylbut-1-ene
CID 90770104
ethene;(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene
CID 145059823
(3E,5Z,7E)-2,3-dimethyl-7-prop-1-en-2-ylnona-1,3,5,7-tetraene
CID 163402512
6-ethylidene-2-fluoro-5-methylidenenona-1,3,7-triene
CID 123639498
(3E)-2-methylhexa-1,3-dien-3-amine
CID 130242711
2,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 123828527

Frequently Asked Questions

What is the IUPAC name of (3E,4Z,7E)-3-ethylidene-7-[(Z)-2-fluoroethenyl]-2-methyl-6-methylidenedeca-1,4,7-triene?
The IUPAC name of (3E,4Z,7E)-3-ethylidene-7-[(Z)-2-fluoroethenyl]-2-methyl-6-methylidenedeca-1,4,7-triene (CID 126710295) is (3E,4Z,7E)-3-ethylidene-7-[(Z)-2-fluoroethenyl]-2-methyl-6-methylidenedeca-1,4,7-triene.
What is the SMILES notation for (3E,4Z,7E)-3-ethylidene-7-[(Z)-2-fluoroethenyl]-2-methyl-6-methylidenedeca-1,4,7-triene?
The canonical SMILES for (3E,4Z,7E)-3-ethylidene-7-[(Z)-2-fluoroethenyl]-2-methyl-6-methylidenedeca-1,4,7-triene is C=C(/C=C/C(=C\C)C(=C)C)C(/C=C\F)=C/CC.
What is the InChIKey of (3E,4Z,7E)-3-ethylidene-7-[(Z)-2-fluoroethenyl]-2-methyl-6-methylidenedeca-1,4,7-triene?
The InChIKey is SFNPMWURUWLHPC-CDFCSAHJSA-N. The full InChI is InChI=1S/C16H21F/c1-6-8-16(11-12-17)14(5)9-10-15(7-2)13(3)4/h7-12H,3,5-6H2,1-2,4H3/b10-9-,12-11-,15-7+,16-8+.
What are the key properties of (3E,4Z,7E)-3-ethylidene-7-[(Z)-2-fluoroethenyl]-2-methyl-6-methylidenedeca-1,4,7-triene?
(3E,4Z,7E)-3-ethylidene-7-[(Z)-2-fluoroethenyl]-2-methyl-6-methylidenedeca-1,4,7-triene has a molecular weight of 232.34 g/mol, XLogP of 5.44, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4Z,7E)-3-ethylidene-7-[(Z)-2-fluoroethenyl]-2-methyl-6-methylidenedeca-1,4,7-triene is sourced from PubChem (CID 126710295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).