(2Z,4Z)-6-fluoro-4,5-dimethylhepta-2,4-diene

C9H15F — CID 164597534

IUPAC(2Z,4Z)-6-fluoro-4,5-dimethylhepta-2,4-diene
SMILESC/C=C\C(C)=C(\C)C(C)F
InChIInChI=1S/C9H15F/c1-5-6-7(2)8(3)9(4)10/h5-6,9H,1-4H3/b6-5-,8-7-
InChIKeyKBAGWFPBAKFJLD-ISTTXYCBSA-N
MW142.22 g/mol
LogP3.26
Rot. Bonds2

About (2Z,4Z)-6-fluoro-4,5-dimethylhepta-2,4-diene

(2Z,4Z)-6-fluoro-4,5-dimethylhepta-2,4-diene (PubChem CID 164597534) has the molecular formula C9H15F and a molecular weight of 142.22 g/mol. Its IUPAC name is (2Z,4Z)-6-fluoro-4,5-dimethylhepta-2,4-diene.

Molecular Properties

Compound Name(2Z,4Z)-6-fluoro-4,5-dimethylhepta-2,4-diene
PubChem CID164597534
Molecular FormulaC9H15F
Molecular Weight142.22 g/mol
Exact Mass142.12
IUPAC Name(2Z,4Z)-6-fluoro-4,5-dimethylhepta-2,4-diene
SMILESC/C=C\C(C)=C(\C)C(C)F
InChIInChI=1S/C9H15F/c1-5-6-7(2)8(3)9(4)10/h5-6,9H,1-4H3/b6-5-,8-7-
InChIKeyKBAGWFPBAKFJLD-ISTTXYCBSA-N
XLogP3.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3E,5E)-2,4-dimethylhepta-3,5-dien-3-ol
CID 143682411
(2Z,4Z,6E)-4,5-dimethylocta-2,4,6-triene;ethane
CID 143078832
6-tert-butyl-4,5,7,8,8-pentamethylnona-2,4-diene
CID 123391151
(2Z,4E)-8,8-difluoro-4,6-dimethyl-5-(3-methylbut-1-en-2-yl)octa-2,4-diene
CID 130242747
N-[(2Z,4Z)-3-methylhexa-2,4-dien-2-yl]methanimine
CID 139436221
(2Z,4Z)-6-fluoro-5-methylhepta-2,4-diene
CID 143911112
(1Z,3Z)-2-methyl-1-(methylideneamino)penta-1,3-dien-1-amine
CID 142933164
(3E)-2,3,4-trimethylhepta-1,3,5-triene
CID 161260818
(2R,4Z,6Z)-4-ethenyl-5-methylocta-4,6-dien-2-ol
CID 143045895
(2Z,4E)-2,3-difluorohexa-2,4-diene
CID 142531595
(3R)-3-fluorobutan-2-one
CID 638120
(Z)-1,1-difluoro-N-methylpent-3-en-2-imine
CID 138552264

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-6-fluoro-4,5-dimethylhepta-2,4-diene?
The IUPAC name of (2Z,4Z)-6-fluoro-4,5-dimethylhepta-2,4-diene (CID 164597534) is (2Z,4Z)-6-fluoro-4,5-dimethylhepta-2,4-diene.
What is the SMILES notation for (2Z,4Z)-6-fluoro-4,5-dimethylhepta-2,4-diene?
The canonical SMILES for (2Z,4Z)-6-fluoro-4,5-dimethylhepta-2,4-diene is C/C=C\C(C)=C(\C)C(C)F.
What is the InChIKey of (2Z,4Z)-6-fluoro-4,5-dimethylhepta-2,4-diene?
The InChIKey is KBAGWFPBAKFJLD-ISTTXYCBSA-N. The full InChI is InChI=1S/C9H15F/c1-5-6-7(2)8(3)9(4)10/h5-6,9H,1-4H3/b6-5-,8-7-.
What are the key properties of (2Z,4Z)-6-fluoro-4,5-dimethylhepta-2,4-diene?
(2Z,4Z)-6-fluoro-4,5-dimethylhepta-2,4-diene has a molecular weight of 142.22 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-6-fluoro-4,5-dimethylhepta-2,4-diene is sourced from PubChem (CID 164597534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).