3-fluoropenta-1,3-diene

C5H7F — CID 54326180

IUPAC3-fluoropenta-1,3-diene
SMILESC=CC(F)=CC
InChIInChI=1S/C5H7F/c1-3-5(6)4-2/h3-4H,1H2,2H3
InChIKeySVCCACWBOHRDCH-UHFFFAOYSA-N
MW86.11 g/mol
LogP2.05
Rot. Bonds1

About 3-fluoropenta-1,3-diene

3-fluoropenta-1,3-diene (PubChem CID 54326180) has the molecular formula C5H7F and a molecular weight of 86.11 g/mol. Its IUPAC name is 3-fluoropenta-1,3-diene.

Molecular Properties

Compound Name3-fluoropenta-1,3-diene
PubChem CID54326180
Molecular FormulaC5H7F
Molecular Weight86.11 g/mol
Exact Mass86.05
IUPAC Name3-fluoropenta-1,3-diene
SMILESC=CC(F)=CC
InChIInChI=1S/C5H7F/c1-3-5(6)4-2/h3-4H,1H2,2H3
InChIKeySVCCACWBOHRDCH-UHFFFAOYSA-N
XLogP2.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.11
LogP ≤ 52.05
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

1,3-Pentadiene
CID 62204
1,3-Pentadiene, (3Z)-
CID 643785
2,4-Hexadiene
CID 11600
trans,trans-2,4-Hexadiene
CID 638071
2,4-Hexadiene, (2E,4Z)-
CID 643786
Penta-1,3-diene
CID 15301
(2Z,4Z)-2,4-Hexadiene
CID 5326156
1,3,5-Heptatriene, (E,E)-
CID 5367390
1-Fluoro-2-butene
CID 10931363
1,3,5-Heptatriene, (3E,5Z)-
CID 5463058
(E)-1,2,4-Hexatriene
CID 5462987
(4E)-hexa-2,4-diene
CID 22435466

Frequently Asked Questions

What is the IUPAC name of 3-fluoropenta-1,3-diene?
The IUPAC name of 3-fluoropenta-1,3-diene (CID 54326180) is 3-fluoropenta-1,3-diene.
What is the SMILES notation for 3-fluoropenta-1,3-diene?
The canonical SMILES for 3-fluoropenta-1,3-diene is C=CC(F)=CC.
What is the InChIKey of 3-fluoropenta-1,3-diene?
The InChIKey is SVCCACWBOHRDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F/c1-3-5(6)4-2/h3-4H,1H2,2H3.
What are the key properties of 3-fluoropenta-1,3-diene?
3-fluoropenta-1,3-diene has a molecular weight of 86.11 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropenta-1,3-diene is sourced from PubChem (CID 54326180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).