(2Z,4Z,6E)-3-chloro-8-fluoro-5-propan-2-ylnona-2,4,6-triene

C12H18ClF — CID 134548579

IUPAC(2Z,4Z,6E)-3-chloro-8-fluoro-5-propan-2-ylnona-2,4,6-triene
SMILESC/C=C(Cl)/C=C(\C=C\C(C)F)C(C)C
InChIInChI=1S/C12H18ClF/c1-5-12(13)8-11(9(2)3)7-6-10(4)14/h5-10H,1-4H3/b7-6+,11-8+,12-5-
InChIKeyWPRBYLTUFWRLTF-XAPDDZSJSA-N
MW216.73 g/mol
LogP4.63
Rot. Bonds4

About (2Z,4Z,6E)-3-chloro-8-fluoro-5-propan-2-ylnona-2,4,6-triene

(2Z,4Z,6E)-3-chloro-8-fluoro-5-propan-2-ylnona-2,4,6-triene (PubChem CID 134548579) has the molecular formula C12H18ClF and a molecular weight of 216.73 g/mol. Its IUPAC name is (2Z,4Z,6E)-3-chloro-8-fluoro-5-propan-2-ylnona-2,4,6-triene.

Molecular Properties

Compound Name(2Z,4Z,6E)-3-chloro-8-fluoro-5-propan-2-ylnona-2,4,6-triene
PubChem CID134548579
Molecular FormulaC12H18ClF
Molecular Weight216.73 g/mol
Exact Mass216.11
IUPAC Name(2Z,4Z,6E)-3-chloro-8-fluoro-5-propan-2-ylnona-2,4,6-triene
SMILESC/C=C(Cl)/C=C(\C=C\C(C)F)C(C)C
InChIInChI=1S/C12H18ClF/c1-5-12(13)8-11(9(2)3)7-6-10(4)14/h5-10H,1-4H3/b7-6+,11-8+,12-5-
InChIKeyWPRBYLTUFWRLTF-XAPDDZSJSA-N
XLogP4.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.73
LogP ≤ 54.63
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 (2Z,4Z,6E)-3-chloro-8-fluoro-5-propan-2-ylnona-2,4,6-triene?
The IUPAC name of (2Z,4Z,6E)-3-chloro-8-fluoro-5-propan-2-ylnona-2,4,6-triene (CID 134548579) is (2Z,4Z,6E)-3-chloro-8-fluoro-5-propan-2-ylnona-2,4,6-triene.
What is the SMILES notation for (2Z,4Z,6E)-3-chloro-8-fluoro-5-propan-2-ylnona-2,4,6-triene?
The canonical SMILES for (2Z,4Z,6E)-3-chloro-8-fluoro-5-propan-2-ylnona-2,4,6-triene is C/C=C(Cl)/C=C(\C=C\C(C)F)C(C)C.
What is the InChIKey of (2Z,4Z,6E)-3-chloro-8-fluoro-5-propan-2-ylnona-2,4,6-triene?
The InChIKey is WPRBYLTUFWRLTF-XAPDDZSJSA-N. The full InChI is InChI=1S/C12H18ClF/c1-5-12(13)8-11(9(2)3)7-6-10(4)14/h5-10H,1-4H3/b7-6+,11-8+,12-5-.
What are the key properties of (2Z,4Z,6E)-3-chloro-8-fluoro-5-propan-2-ylnona-2,4,6-triene?
(2Z,4Z,6E)-3-chloro-8-fluoro-5-propan-2-ylnona-2,4,6-triene has a molecular weight of 216.73 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,6E)-3-chloro-8-fluoro-5-propan-2-ylnona-2,4,6-triene is sourced from PubChem (CID 134548579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).