(2E,4Z,7Z)-1,1,1-trifluoro-5-(1-fluoroprop-2-enyl)-2-methyl-7-prop-2-enylideneundeca-2,4,8-triene

C18H22F4 — CID 135278061

IUPAC(2E,4Z,7Z)-1,1,1-trifluoro-5-(1-fluoroprop-2-enyl)-2-methyl-7-prop-2-enylideneundeca-2,4,8-triene
SMILESC=C/C=C(\C=CCC)C/C(=C/C=C(\C)C(F)(F)F)C(F)C=C
InChIInChI=1S/C18H22F4/c1-5-8-10-15(9-6-2)13-16(17(19)7-3)12-11-14(4)18(20,21)22/h6-12,17H,2-3,5,13H2,1,4H3/b10-8?,14-11+,15-9+,16-12-
InChIKeyCBUXYDRYTVTXEF-YOGOVMJNSA-N
MW314.37 g/mol
LogP6.41
Rot. Bonds8

About (2E,4Z,7Z)-1,1,1-trifluoro-5-(1-fluoroprop-2-enyl)-2-methyl-7-prop-2-enylideneundeca-2,4,8-triene

(2E,4Z,7Z)-1,1,1-trifluoro-5-(1-fluoroprop-2-enyl)-2-methyl-7-prop-2-enylideneundeca-2,4,8-triene (PubChem CID 135278061) has the molecular formula C18H22F4 and a molecular weight of 314.37 g/mol. Its IUPAC name is (2E,4Z,7Z)-1,1,1-trifluoro-5-(1-fluoroprop-2-enyl)-2-methyl-7-prop-2-enylideneundeca-2,4,8-triene.

Molecular Properties

Compound Name(2E,4Z,7Z)-1,1,1-trifluoro-5-(1-fluoroprop-2-enyl)-2-methyl-7-prop-2-enylideneundeca-2,4,8-triene
PubChem CID135278061
Molecular FormulaC18H22F4
Molecular Weight314.37 g/mol
Exact Mass314.17
IUPAC Name(2E,4Z,7Z)-1,1,1-trifluoro-5-(1-fluoroprop-2-enyl)-2-methyl-7-prop-2-enylideneundeca-2,4,8-triene
SMILESC=C/C=C(\C=CCC)C/C(=C/C=C(\C)C(F)(F)F)C(F)C=C
InChIInChI=1S/C18H22F4/c1-5-8-10-15(9-6-2)13-16(17(19)7-3)12-11-14(4)18(20,21)22/h6-12,17H,2-3,5,13H2,1,4H3/b10-8?,14-11+,15-9+,16-12-
InChIKeyCBUXYDRYTVTXEF-YOGOVMJNSA-N
XLogP6.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.37
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z,7Z)-1,1,1-trifluoro-5-(1-fluoroprop-2-enyl)-2-methyl-7-prop-2-enylideneundeca-2,4,8-triene?
The IUPAC name of (2E,4Z,7Z)-1,1,1-trifluoro-5-(1-fluoroprop-2-enyl)-2-methyl-7-prop-2-enylideneundeca-2,4,8-triene (CID 135278061) is (2E,4Z,7Z)-1,1,1-trifluoro-5-(1-fluoroprop-2-enyl)-2-methyl-7-prop-2-enylideneundeca-2,4,8-triene.
What is the SMILES notation for (2E,4Z,7Z)-1,1,1-trifluoro-5-(1-fluoroprop-2-enyl)-2-methyl-7-prop-2-enylideneundeca-2,4,8-triene?
The canonical SMILES for (2E,4Z,7Z)-1,1,1-trifluoro-5-(1-fluoroprop-2-enyl)-2-methyl-7-prop-2-enylideneundeca-2,4,8-triene is C=C/C=C(\C=CCC)C/C(=C/C=C(\C)C(F)(F)F)C(F)C=C.
What is the InChIKey of (2E,4Z,7Z)-1,1,1-trifluoro-5-(1-fluoroprop-2-enyl)-2-methyl-7-prop-2-enylideneundeca-2,4,8-triene?
The InChIKey is CBUXYDRYTVTXEF-YOGOVMJNSA-N. The full InChI is InChI=1S/C18H22F4/c1-5-8-10-15(9-6-2)13-16(17(19)7-3)12-11-14(4)18(20,21)22/h6-12,17H,2-3,5,13H2,1,4H3/b10-8?,14-11+,15-9+,16-12-.
What are the key properties of (2E,4Z,7Z)-1,1,1-trifluoro-5-(1-fluoroprop-2-enyl)-2-methyl-7-prop-2-enylideneundeca-2,4,8-triene?
(2E,4Z,7Z)-1,1,1-trifluoro-5-(1-fluoroprop-2-enyl)-2-methyl-7-prop-2-enylideneundeca-2,4,8-triene has a molecular weight of 314.37 g/mol, XLogP of 6.41, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,7Z)-1,1,1-trifluoro-5-(1-fluoroprop-2-enyl)-2-methyl-7-prop-2-enylideneundeca-2,4,8-triene is sourced from PubChem (CID 135278061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).