(4E,7E,9Z)-2,2-difluoro-5,7,13-trimethyl-3,11-dimethylidenetetradeca-4,7,9-triene

C19H28F2 — CID 167071654

IUPAC(4E,7E,9Z)-2,2-difluoro-5,7,13-trimethyl-3,11-dimethylidenetetradeca-4,7,9-triene
SMILESC=C(/C=C\C=C(/C)C/C(C)=C/C(=C)C(C)(F)F)CC(C)C
InChIInChI=1S/C19H28F2/c1-14(2)11-15(3)9-8-10-16(4)12-17(5)13-18(6)19(7,20)21/h8-10,13-14H,3,6,11-12H2,1-2,4-5,7H3/b9-8-,16-10+,17-13+
InChIKeyVOOOQJCCIONQFC-LFKZQVQISA-N
MW294.43 g/mol
LogP6.64
Rot. Bonds8

About (4E,7E,9Z)-2,2-difluoro-5,7,13-trimethyl-3,11-dimethylidenetetradeca-4,7,9-triene

(4E,7E,9Z)-2,2-difluoro-5,7,13-trimethyl-3,11-dimethylidenetetradeca-4,7,9-triene (PubChem CID 167071654) has the molecular formula C19H28F2 and a molecular weight of 294.43 g/mol. Its IUPAC name is (4E,7E,9Z)-2,2-difluoro-5,7,13-trimethyl-3,11-dimethylidenetetradeca-4,7,9-triene.

Molecular Properties

Compound Name(4E,7E,9Z)-2,2-difluoro-5,7,13-trimethyl-3,11-dimethylidenetetradeca-4,7,9-triene
PubChem CID167071654
Molecular FormulaC19H28F2
Molecular Weight294.43 g/mol
Exact Mass294.22
IUPAC Name(4E,7E,9Z)-2,2-difluoro-5,7,13-trimethyl-3,11-dimethylidenetetradeca-4,7,9-triene
SMILESC=C(/C=C\C=C(/C)C/C(C)=C/C(=C)C(C)(F)F)CC(C)C
InChIInChI=1S/C19H28F2/c1-14(2)11-15(3)9-8-10-16(4)12-17(5)13-18(6)19(7,20)21/h8-10,13-14H,3,6,11-12H2,1-2,4-5,7H3/b9-8-,16-10+,17-13+
InChIKeyVOOOQJCCIONQFC-LFKZQVQISA-N
XLogP6.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.43
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (4E,7E,9Z)-2,2-difluoro-5,7,13-trimethyl-3,11-dimethylidenetetradeca-4,7,9-triene with MolForge

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Related Compounds

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(2E,4Z)-8-methyl-6-methylidene-N-prop-1-en-2-ylnona-2,4-dien-3-amine
CID 155374255
(3Z,5E)-2,6,11-trimethyldodeca-1,3,5-triene
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CID 174045679
(Z)-6-fluoro-3,6-dimethyl-5-methylidenehept-3-ene
CID 142164925
(3Z,5Z)-6,8-dimethylnona-1,3,5-triene;ethane
CID 145049129
(4Z)-7,8-diethyl-2,7,8,9-tetramethyl-6-methylidenedeca-2,4-diene
CID 143867718
2,6-dimethylhepta-2,4,6-trien-1-amine
CID 123608540
4,4-difluoro-3-methylidenepent-1-ene
CID 134189275
1-methoxy-4,6-dimethylhepta-1,3-diene
CID 123970131
2,2-difluoropropane;bis(2-methylpropane);bis(2-methylprop-1-ene)
CID 160802962

Frequently Asked Questions

What is the IUPAC name of (4E,7E,9Z)-2,2-difluoro-5,7,13-trimethyl-3,11-dimethylidenetetradeca-4,7,9-triene?
The IUPAC name of (4E,7E,9Z)-2,2-difluoro-5,7,13-trimethyl-3,11-dimethylidenetetradeca-4,7,9-triene (CID 167071654) is (4E,7E,9Z)-2,2-difluoro-5,7,13-trimethyl-3,11-dimethylidenetetradeca-4,7,9-triene.
What is the SMILES notation for (4E,7E,9Z)-2,2-difluoro-5,7,13-trimethyl-3,11-dimethylidenetetradeca-4,7,9-triene?
The canonical SMILES for (4E,7E,9Z)-2,2-difluoro-5,7,13-trimethyl-3,11-dimethylidenetetradeca-4,7,9-triene is C=C(/C=C\C=C(/C)C/C(C)=C/C(=C)C(C)(F)F)CC(C)C.
What is the InChIKey of (4E,7E,9Z)-2,2-difluoro-5,7,13-trimethyl-3,11-dimethylidenetetradeca-4,7,9-triene?
The InChIKey is VOOOQJCCIONQFC-LFKZQVQISA-N. The full InChI is InChI=1S/C19H28F2/c1-14(2)11-15(3)9-8-10-16(4)12-17(5)13-18(6)19(7,20)21/h8-10,13-14H,3,6,11-12H2,1-2,4-5,7H3/b9-8-,16-10+,17-13+.
What are the key properties of (4E,7E,9Z)-2,2-difluoro-5,7,13-trimethyl-3,11-dimethylidenetetradeca-4,7,9-triene?
(4E,7E,9Z)-2,2-difluoro-5,7,13-trimethyl-3,11-dimethylidenetetradeca-4,7,9-triene has a molecular weight of 294.43 g/mol, XLogP of 6.64, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,7E,9Z)-2,2-difluoro-5,7,13-trimethyl-3,11-dimethylidenetetradeca-4,7,9-triene is sourced from PubChem (CID 167071654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).