(4E,6Z)-6-chloro-4-fluoro-7-methylundeca-4,6-diene

C12H20ClF — CID 135258231

IUPAC(4E,6Z)-6-chloro-4-fluoro-7-methylundeca-4,6-diene
SMILESCCCC/C(C)=C(Cl)/C=C(/F)CCC
InChIInChI=1S/C12H20ClF/c1-4-6-8-10(3)12(13)9-11(14)7-5-2/h9H,4-8H2,1-3H3/b11-9+,12-10-
InChIKeyWSAQOHAOWNHBCD-IXIPZQGVSA-N
MW218.74 g/mol
LogP5.34
Rot. Bonds6

About (4E,6Z)-6-chloro-4-fluoro-7-methylundeca-4,6-diene

(4E,6Z)-6-chloro-4-fluoro-7-methylundeca-4,6-diene (PubChem CID 135258231) has the molecular formula C12H20ClF and a molecular weight of 218.74 g/mol. Its IUPAC name is (4E,6Z)-6-chloro-4-fluoro-7-methylundeca-4,6-diene.

Molecular Properties

Compound Name(4E,6Z)-6-chloro-4-fluoro-7-methylundeca-4,6-diene
PubChem CID135258231
Molecular FormulaC12H20ClF
Molecular Weight218.74 g/mol
Exact Mass218.12
IUPAC Name(4E,6Z)-6-chloro-4-fluoro-7-methylundeca-4,6-diene
SMILESCCCC/C(C)=C(Cl)/C=C(/F)CCC
InChIInChI=1S/C12H20ClF/c1-4-6-8-10(3)12(13)9-11(14)7-5-2/h9H,4-8H2,1-3H3/b11-9+,12-10-
InChIKeyWSAQOHAOWNHBCD-IXIPZQGVSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.74
LogP ≤ 55.34
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 (4E,6Z)-6-chloro-4-fluoro-7-methylundeca-4,6-diene?
The IUPAC name of (4E,6Z)-6-chloro-4-fluoro-7-methylundeca-4,6-diene (CID 135258231) is (4E,6Z)-6-chloro-4-fluoro-7-methylundeca-4,6-diene.
What is the SMILES notation for (4E,6Z)-6-chloro-4-fluoro-7-methylundeca-4,6-diene?
The canonical SMILES for (4E,6Z)-6-chloro-4-fluoro-7-methylundeca-4,6-diene is CCCC/C(C)=C(Cl)/C=C(/F)CCC.
What is the InChIKey of (4E,6Z)-6-chloro-4-fluoro-7-methylundeca-4,6-diene?
The InChIKey is WSAQOHAOWNHBCD-IXIPZQGVSA-N. The full InChI is InChI=1S/C12H20ClF/c1-4-6-8-10(3)12(13)9-11(14)7-5-2/h9H,4-8H2,1-3H3/b11-9+,12-10-.
What are the key properties of (4E,6Z)-6-chloro-4-fluoro-7-methylundeca-4,6-diene?
(4E,6Z)-6-chloro-4-fluoro-7-methylundeca-4,6-diene has a molecular weight of 218.74 g/mol, XLogP of 5.34, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6Z)-6-chloro-4-fluoro-7-methylundeca-4,6-diene is sourced from PubChem (CID 135258231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).