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

C8H13F — CID 143911112

IUPAC(2Z,4Z)-6-fluoro-5-methylhepta-2,4-diene
SMILESC/C=C\C=C(\C)C(C)F
InChIInChI=1S/C8H13F/c1-4-5-6-7(2)8(3)9/h4-6,8H,1-3H3/b5-4-,7-6-
InChIKeyBMTMXXFZOCMWIQ-RZSVFLSASA-N
MW128.19 g/mol
LogP2.87
Rot. Bonds2

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

(2Z,4Z)-6-fluoro-5-methylhepta-2,4-diene (PubChem CID 143911112) has the molecular formula C8H13F and a molecular weight of 128.19 g/mol. Its IUPAC name is (2Z,4Z)-6-fluoro-5-methylhepta-2,4-diene.

Molecular Properties

Compound Name(2Z,4Z)-6-fluoro-5-methylhepta-2,4-diene
PubChem CID143911112
Molecular FormulaC8H13F
Molecular Weight128.19 g/mol
Exact Mass128.10
IUPAC Name(2Z,4Z)-6-fluoro-5-methylhepta-2,4-diene
SMILESC/C=C\C=C(\C)C(C)F
InChIInChI=1S/C8H13F/c1-4-5-6-7(2)8(3)9/h4-6,8H,1-3H3/b5-4-,7-6-
InChIKeyBMTMXXFZOCMWIQ-RZSVFLSASA-N
XLogP2.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.19
LogP ≤ 52.87
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

trans-Alloocimene
CID 5368821
beta-Ocimene
CID 18756
beta-Ocimene, (3Z)-
CID 5320250
beta-OCIMENE, (3E)-
CID 5281553
2,6-Dimethylocta-2,4,6-triene
CID 12658
2,4-Hexadiene, 3-methyl-
CID 5367612
1,3-Pentadiene, 2-methyl-
CID 14238
Alloocimene, (4E,6Z)-
CID 5371125
Dimethylhexadiene
CID 6365525
Ocimene
CID 6434062
1,3-Cyclopentadiene, 5-(1-methylethylidene)-
CID 137467
Artemisia triene
CID 5320377

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-6-fluoro-5-methylhepta-2,4-diene?
The IUPAC name of (2Z,4Z)-6-fluoro-5-methylhepta-2,4-diene (CID 143911112) is (2Z,4Z)-6-fluoro-5-methylhepta-2,4-diene.
What is the SMILES notation for (2Z,4Z)-6-fluoro-5-methylhepta-2,4-diene?
The canonical SMILES for (2Z,4Z)-6-fluoro-5-methylhepta-2,4-diene is C/C=C\C=C(\C)C(C)F.
What is the InChIKey of (2Z,4Z)-6-fluoro-5-methylhepta-2,4-diene?
The InChIKey is BMTMXXFZOCMWIQ-RZSVFLSASA-N. The full InChI is InChI=1S/C8H13F/c1-4-5-6-7(2)8(3)9/h4-6,8H,1-3H3/b5-4-,7-6-.
What are the key properties of (2Z,4Z)-6-fluoro-5-methylhepta-2,4-diene?
(2Z,4Z)-6-fluoro-5-methylhepta-2,4-diene has a molecular weight of 128.19 g/mol, XLogP of 2.87, 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-5-methylhepta-2,4-diene is sourced from PubChem (CID 143911112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).