(Z)-5-(1-chloroethenyl)-6-fluoro-2,6-dimethyloct-4-ene

C12H20ClF — CID 138527452

IUPAC(Z)-5-(1-chloroethenyl)-6-fluoro-2,6-dimethyloct-4-ene
SMILESC=C(Cl)/C(=C\CC(C)C)C(C)(F)CC
InChIInChI=1S/C12H20ClF/c1-6-12(5,14)11(10(4)13)8-7-9(2)3/h8-9H,4,6-7H2,1-3,5H3/b11-8+
InChIKeyMYAADTNQQDENKO-DHZHZOJOSA-N
MW218.74 g/mol
LogP4.85
Rot. Bonds5

About (Z)-5-(1-chloroethenyl)-6-fluoro-2,6-dimethyloct-4-ene

(Z)-5-(1-chloroethenyl)-6-fluoro-2,6-dimethyloct-4-ene (PubChem CID 138527452) has the molecular formula C12H20ClF and a molecular weight of 218.74 g/mol. Its IUPAC name is (Z)-5-(1-chloroethenyl)-6-fluoro-2,6-dimethyloct-4-ene.

Molecular Properties

Compound Name(Z)-5-(1-chloroethenyl)-6-fluoro-2,6-dimethyloct-4-ene
PubChem CID138527452
Molecular FormulaC12H20ClF
Molecular Weight218.74 g/mol
Exact Mass218.12
IUPAC Name(Z)-5-(1-chloroethenyl)-6-fluoro-2,6-dimethyloct-4-ene
SMILESC=C(Cl)/C(=C\CC(C)C)C(C)(F)CC
InChIInChI=1S/C12H20ClF/c1-6-12(5,14)11(10(4)13)8-7-9(2)3/h8-9H,4,6-7H2,1-3,5H3/b11-8+
InChIKeyMYAADTNQQDENKO-DHZHZOJOSA-N
XLogP4.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.74
LogP ≤ 54.85
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 (Z)-5-(1-chloroethenyl)-6-fluoro-2,6-dimethyloct-4-ene?
The IUPAC name of (Z)-5-(1-chloroethenyl)-6-fluoro-2,6-dimethyloct-4-ene (CID 138527452) is (Z)-5-(1-chloroethenyl)-6-fluoro-2,6-dimethyloct-4-ene.
What is the SMILES notation for (Z)-5-(1-chloroethenyl)-6-fluoro-2,6-dimethyloct-4-ene?
The canonical SMILES for (Z)-5-(1-chloroethenyl)-6-fluoro-2,6-dimethyloct-4-ene is C=C(Cl)/C(=C\CC(C)C)C(C)(F)CC.
What is the InChIKey of (Z)-5-(1-chloroethenyl)-6-fluoro-2,6-dimethyloct-4-ene?
The InChIKey is MYAADTNQQDENKO-DHZHZOJOSA-N. The full InChI is InChI=1S/C12H20ClF/c1-6-12(5,14)11(10(4)13)8-7-9(2)3/h8-9H,4,6-7H2,1-3,5H3/b11-8+.
What are the key properties of (Z)-5-(1-chloroethenyl)-6-fluoro-2,6-dimethyloct-4-ene?
(Z)-5-(1-chloroethenyl)-6-fluoro-2,6-dimethyloct-4-ene has a molecular weight of 218.74 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(1-chloroethenyl)-6-fluoro-2,6-dimethyloct-4-ene is sourced from PubChem (CID 138527452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).