1-fluoro-4-methylhexa-2,4-diene

C7H11F — CID 91344974

IUPAC1-fluoro-4-methylhexa-2,4-diene
SMILESCC=C(C)C=CCF
InChIInChI=1S/C7H11F/c1-3-7(2)5-4-6-8/h3-5H,6H2,1-2H3
InChIKeyBPFKTXVKTQDTMS-UHFFFAOYSA-N
MW114.16 g/mol
LogP2.48
Rot. Bonds2

About 1-fluoro-4-methylhexa-2,4-diene

1-fluoro-4-methylhexa-2,4-diene (PubChem CID 91344974) has the molecular formula C7H11F and a molecular weight of 114.16 g/mol. Its IUPAC name is 1-fluoro-4-methylhexa-2,4-diene.

Molecular Properties

Compound Name1-fluoro-4-methylhexa-2,4-diene
PubChem CID91344974
Molecular FormulaC7H11F
Molecular Weight114.16 g/mol
Exact Mass114.08
IUPAC Name1-fluoro-4-methylhexa-2,4-diene
SMILESCC=C(C)C=CCF
InChIInChI=1S/C7H11F/c1-3-7(2)5-4-6-8/h3-5H,6H2,1-2H3
InChIKeyBPFKTXVKTQDTMS-UHFFFAOYSA-N
XLogP2.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.16
LogP ≤ 52.48
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 1-fluoro-4-methylhexa-2,4-diene?
The IUPAC name of 1-fluoro-4-methylhexa-2,4-diene (CID 91344974) is 1-fluoro-4-methylhexa-2,4-diene.
What is the SMILES notation for 1-fluoro-4-methylhexa-2,4-diene?
The canonical SMILES for 1-fluoro-4-methylhexa-2,4-diene is CC=C(C)C=CCF.
What is the InChIKey of 1-fluoro-4-methylhexa-2,4-diene?
The InChIKey is BPFKTXVKTQDTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F/c1-3-7(2)5-4-6-8/h3-5H,6H2,1-2H3.
What are the key properties of 1-fluoro-4-methylhexa-2,4-diene?
1-fluoro-4-methylhexa-2,4-diene has a molecular weight of 114.16 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-methylhexa-2,4-diene is sourced from PubChem (CID 91344974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).