(4Z)-3-fluoro-2-methylocta-2,4-diene

C9H15F — CID 24972161

IUPAC(4Z)-3-fluoro-2-methylocta-2,4-diene
SMILESCCC/C=C\C(F)=C(C)C
InChIInChI=1S/C9H15F/c1-4-5-6-7-9(10)8(2)3/h6-7H,4-5H2,1-3H3/b7-6-
InChIKeyNQBSNXAQYXTCNX-SREVYHEPSA-N
MW142.22 g/mol
LogP3.61
Rot. Bonds3

About (4Z)-3-fluoro-2-methylocta-2,4-diene

(4Z)-3-fluoro-2-methylocta-2,4-diene (PubChem CID 24972161) has the molecular formula C9H15F and a molecular weight of 142.22 g/mol. Its IUPAC name is (4Z)-3-fluoro-2-methylocta-2,4-diene.

Molecular Properties

Compound Name(4Z)-3-fluoro-2-methylocta-2,4-diene
PubChem CID24972161
Molecular FormulaC9H15F
Molecular Weight142.22 g/mol
Exact Mass142.12
IUPAC Name(4Z)-3-fluoro-2-methylocta-2,4-diene
SMILESCCC/C=C\C(F)=C(C)C
InChIInChI=1S/C9H15F/c1-4-5-6-7-9(10)8(2)3/h6-7H,4-5H2,1-3H3/b7-6-
InChIKeyNQBSNXAQYXTCNX-SREVYHEPSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 53.61
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
Farnesene
CID 5281516
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-Methyl-1,3-cyclopentadiene
CID 66775
2-Methyl-1,3-cyclohexadiene
CID 73885
(Z,E)-alpha-Farnesene
CID 5362889
(3E)-4,8-dimethyl-1,3,7-nonatriene
CID 6427110
1,3-Pentadiene, 2-methyl-
CID 14238

Frequently Asked Questions

What is the IUPAC name of (4Z)-3-fluoro-2-methylocta-2,4-diene?
The IUPAC name of (4Z)-3-fluoro-2-methylocta-2,4-diene (CID 24972161) is (4Z)-3-fluoro-2-methylocta-2,4-diene.
What is the SMILES notation for (4Z)-3-fluoro-2-methylocta-2,4-diene?
The canonical SMILES for (4Z)-3-fluoro-2-methylocta-2,4-diene is CCC/C=C\C(F)=C(C)C.
What is the InChIKey of (4Z)-3-fluoro-2-methylocta-2,4-diene?
The InChIKey is NQBSNXAQYXTCNX-SREVYHEPSA-N. The full InChI is InChI=1S/C9H15F/c1-4-5-6-7-9(10)8(2)3/h6-7H,4-5H2,1-3H3/b7-6-.
What are the key properties of (4Z)-3-fluoro-2-methylocta-2,4-diene?
(4Z)-3-fluoro-2-methylocta-2,4-diene has a molecular weight of 142.22 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-3-fluoro-2-methylocta-2,4-diene is sourced from PubChem (CID 24972161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).