(2Z,4Z)-1-chloro-5-(1-fluoropropyl)nona-2,4-diene

C12H20ClF — CID 126638990

IUPAC(2Z,4Z)-1-chloro-5-(1-fluoropropyl)nona-2,4-diene
SMILESCCCC/C(=C/C=C\CCl)C(F)CC
InChIInChI=1S/C12H20ClF/c1-3-5-8-11(12(14)4-2)9-6-7-10-13/h6-7,9,12H,3-5,8,10H2,1-2H3/b7-6-,11-9-
InChIKeyLJZRHPATBUJAAB-XEZITKEBSA-N
MW218.74 g/mol
LogP4.65
Rot. Bonds7

About (2Z,4Z)-1-chloro-5-(1-fluoropropyl)nona-2,4-diene

(2Z,4Z)-1-chloro-5-(1-fluoropropyl)nona-2,4-diene (PubChem CID 126638990) has the molecular formula C12H20ClF and a molecular weight of 218.74 g/mol. Its IUPAC name is (2Z,4Z)-1-chloro-5-(1-fluoropropyl)nona-2,4-diene.

Molecular Properties

Compound Name(2Z,4Z)-1-chloro-5-(1-fluoropropyl)nona-2,4-diene
PubChem CID126638990
Molecular FormulaC12H20ClF
Molecular Weight218.74 g/mol
Exact Mass218.12
IUPAC Name(2Z,4Z)-1-chloro-5-(1-fluoropropyl)nona-2,4-diene
SMILESCCCC/C(=C/C=C\CCl)C(F)CC
InChIInChI=1S/C12H20ClF/c1-3-5-8-11(12(14)4-2)9-6-7-10-13/h6-7,9,12H,3-5,8,10H2,1-2H3/b7-6-,11-9-
InChIKeyLJZRHPATBUJAAB-XEZITKEBSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.74
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 6438011
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CID 10946148
3-[Chloro(fluoro)methylidene]-1-methyl-2-prop-2-enylcyclopentene
CID 54416029
5-(Chloromethylidene)-3-fluoro-1-methyl-2-prop-2-enylcyclopentene
CID 70519763
(3Z,5E)-7-chloro-4-ethyl-6-fluorohepta-1,3,5-triene
CID 88967187
1-[2-(Chloromethyl)cyclopenten-1-yl]-6-fluorocyclohexa-1,3-diene
CID 89029215
(1Z,3Z)-1-chloro-4-ethenyl-2-fluorohepta-1,3-diene
CID 89143158
(3Z,5E)-7-chloro-4-ethyl-5-fluorohepta-1,3,5-triene
CID 89329960
5-(1-Fluoroethyl)deca-2,4-diene
CID 123355656
(Z,5Z)-1-fluoro-5-prop-2-enylideneundec-2-ene
CID 126607500
(4E,6Z)-6-chloro-4-fluoro-7-methylundeca-4,6-diene
CID 135258231
(4Z)-5-[(E)-2-fluoroethenyl]-2-methylundeca-2,4-diene
CID 144093449

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-1-chloro-5-(1-fluoropropyl)nona-2,4-diene?
The IUPAC name of (2Z,4Z)-1-chloro-5-(1-fluoropropyl)nona-2,4-diene (CID 126638990) is (2Z,4Z)-1-chloro-5-(1-fluoropropyl)nona-2,4-diene.
What is the SMILES notation for (2Z,4Z)-1-chloro-5-(1-fluoropropyl)nona-2,4-diene?
The canonical SMILES for (2Z,4Z)-1-chloro-5-(1-fluoropropyl)nona-2,4-diene is CCCC/C(=C/C=C\CCl)C(F)CC.
What is the InChIKey of (2Z,4Z)-1-chloro-5-(1-fluoropropyl)nona-2,4-diene?
The InChIKey is LJZRHPATBUJAAB-XEZITKEBSA-N. The full InChI is InChI=1S/C12H20ClF/c1-3-5-8-11(12(14)4-2)9-6-7-10-13/h6-7,9,12H,3-5,8,10H2,1-2H3/b7-6-,11-9-.
What are the key properties of (2Z,4Z)-1-chloro-5-(1-fluoropropyl)nona-2,4-diene?
(2Z,4Z)-1-chloro-5-(1-fluoropropyl)nona-2,4-diene has a molecular weight of 218.74 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-1-chloro-5-(1-fluoropropyl)nona-2,4-diene is sourced from PubChem (CID 126638990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).