5-fluoropenta-1,3-diene

C5H7F — CID 57090748

IUPAC5-fluoropenta-1,3-diene
SMILESC=CC=CCF
InChIInChI=1S/C5H7F/c1-2-3-4-5-6/h2-4H,1,5H2
InChIKeyZCMGJTUIICMSQV-UHFFFAOYSA-N
MW86.11 g/mol
LogP1.70
Rot. Bonds2

About 5-fluoropenta-1,3-diene

5-fluoropenta-1,3-diene (PubChem CID 57090748) has the molecular formula C5H7F and a molecular weight of 86.11 g/mol. Its IUPAC name is 5-fluoropenta-1,3-diene.

Molecular Properties

Compound Name5-fluoropenta-1,3-diene
PubChem CID57090748
Molecular FormulaC5H7F
Molecular Weight86.11 g/mol
Exact Mass86.05
IUPAC Name5-fluoropenta-1,3-diene
SMILESC=CC=CCF
InChIInChI=1S/C5H7F/c1-2-3-4-5-6/h2-4H,1,5H2
InChIKeyZCMGJTUIICMSQV-UHFFFAOYSA-N
XLogP1.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.11
LogP ≤ 51.70
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

2-Fluorobuta-1,3-diene
CID 551655
Bromo(4-fluorophenyl)zinc
CID 2778148
3-Fluorophenylmagnesium Bromide
CID 2778196
1-Fluoro-1,3-butadiene
CID 53915310
CID 12844185
CID 12844185
CID 134898449
CID 134898449
4-Fluorophenylmagnesium bromide
CID 2734897
Lithium, (2-fluorophenyl)-
CID 10953436
Fluorobutadiene
CID 11378441
5,5,5-Trifluoro-1,3-pentadiene
CID 11629600
Lithium 3-fluorobenzen-1-ide
CID 13583761
Fluor-cyclooctatetraen
CID 22627843

Frequently Asked Questions

What is the IUPAC name of 5-fluoropenta-1,3-diene?
The IUPAC name of 5-fluoropenta-1,3-diene (CID 57090748) is 5-fluoropenta-1,3-diene.
What is the SMILES notation for 5-fluoropenta-1,3-diene?
The canonical SMILES for 5-fluoropenta-1,3-diene is C=CC=CCF.
What is the InChIKey of 5-fluoropenta-1,3-diene?
The InChIKey is ZCMGJTUIICMSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F/c1-2-3-4-5-6/h2-4H,1,5H2.
What are the key properties of 5-fluoropenta-1,3-diene?
5-fluoropenta-1,3-diene has a molecular weight of 86.11 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoropenta-1,3-diene is sourced from PubChem (CID 57090748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).