1-[(2Z,4E,6E)-7-fluoroocta-2,4,6-trien-4-yl]-1-methylcyclobutane

C13H19F — CID 87085248

IUPAC1-[(2Z,4E,6E)-7-fluoroocta-2,4,6-trien-4-yl]-1-methylcyclobutane
SMILESC/C=C\C(=C/C=C(\C)F)C1(C)CCC1
InChIInChI=1S/C13H19F/c1-4-6-12(8-7-11(2)14)13(3)9-5-10-13/h4,6-8H,5,9-10H2,1-3H3/b6-4-,11-7+,12-8+
InChIKeyCDARZZANUBPZTI-ABPJNWLSSA-N
MW194.29 g/mol
LogP4.55
Rot. Bonds3

About 1-[(2Z,4E,6E)-7-fluoroocta-2,4,6-trien-4-yl]-1-methylcyclobutane

1-[(2Z,4E,6E)-7-fluoroocta-2,4,6-trien-4-yl]-1-methylcyclobutane (PubChem CID 87085248) has the molecular formula C13H19F and a molecular weight of 194.29 g/mol. Its IUPAC name is 1-[(2Z,4E,6E)-7-fluoroocta-2,4,6-trien-4-yl]-1-methylcyclobutane.

Molecular Properties

Compound Name1-[(2Z,4E,6E)-7-fluoroocta-2,4,6-trien-4-yl]-1-methylcyclobutane
PubChem CID87085248
Molecular FormulaC13H19F
Molecular Weight194.29 g/mol
Exact Mass194.15
IUPAC Name1-[(2Z,4E,6E)-7-fluoroocta-2,4,6-trien-4-yl]-1-methylcyclobutane
SMILESC/C=C\C(=C/C=C(\C)F)C1(C)CCC1
InChIInChI=1S/C13H19F/c1-4-6-12(8-7-11(2)14)13(3)9-5-10-13/h4,6-8H,5,9-10H2,1-3H3/b6-4-,11-7+,12-8+
InChIKeyCDARZZANUBPZTI-ABPJNWLSSA-N
XLogP4.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.29
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2Z,4E,6E)-7-fluoroocta-2,4,6-trien-4-yl]-1-methylcyclobutane?
The IUPAC name of 1-[(2Z,4E,6E)-7-fluoroocta-2,4,6-trien-4-yl]-1-methylcyclobutane (CID 87085248) is 1-[(2Z,4E,6E)-7-fluoroocta-2,4,6-trien-4-yl]-1-methylcyclobutane.
What is the SMILES notation for 1-[(2Z,4E,6E)-7-fluoroocta-2,4,6-trien-4-yl]-1-methylcyclobutane?
The canonical SMILES for 1-[(2Z,4E,6E)-7-fluoroocta-2,4,6-trien-4-yl]-1-methylcyclobutane is C/C=C\C(=C/C=C(\C)F)C1(C)CCC1.
What is the InChIKey of 1-[(2Z,4E,6E)-7-fluoroocta-2,4,6-trien-4-yl]-1-methylcyclobutane?
The InChIKey is CDARZZANUBPZTI-ABPJNWLSSA-N. The full InChI is InChI=1S/C13H19F/c1-4-6-12(8-7-11(2)14)13(3)9-5-10-13/h4,6-8H,5,9-10H2,1-3H3/b6-4-,11-7+,12-8+.
What are the key properties of 1-[(2Z,4E,6E)-7-fluoroocta-2,4,6-trien-4-yl]-1-methylcyclobutane?
1-[(2Z,4E,6E)-7-fluoroocta-2,4,6-trien-4-yl]-1-methylcyclobutane has a molecular weight of 194.29 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z,4E,6E)-7-fluoroocta-2,4,6-trien-4-yl]-1-methylcyclobutane is sourced from PubChem (CID 87085248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).