2-fluoropenta-1,4-diene

C5H7F — CID 19969012

IUPAC2-fluoropenta-1,4-diene
SMILESC=CCC(=C)F
InChIInChI=1S/C5H7F/c1-3-4-5(2)6/h3H,1-2,4H2
InChIKeyKAWIQBXTFGLSDJ-UHFFFAOYSA-N
MW86.11 g/mol
LogP2.05
Rot. Bonds2

About 2-fluoropenta-1,4-diene

2-fluoropenta-1,4-diene (PubChem CID 19969012) has the molecular formula C5H7F and a molecular weight of 86.11 g/mol. Its IUPAC name is 2-fluoropenta-1,4-diene.

Molecular Properties

Compound Name2-fluoropenta-1,4-diene
PubChem CID19969012
Molecular FormulaC5H7F
Molecular Weight86.11 g/mol
Exact Mass86.05
IUPAC Name2-fluoropenta-1,4-diene
SMILESC=CCC(=C)F
InChIInChI=1S/C5H7F/c1-3-4-5(2)6/h3H,1-2,4H2
InChIKeyKAWIQBXTFGLSDJ-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4,4,4-Trifluoro-1-butene
CID 10887850
1-Hexene, 6-fluoro-
CID 9761
1-Pentene, 5-fluoro-
CID 67891
4-Fluoro-1-butene
CID 20234353
1,1,2-Trifluoropenta-1,4-diene
CID 272689
3-Fluoro-1-butene
CID 10952622
1,4-Pentadien-3-yl radical
CID 139746
But-3-en-1-yl radical
CID 137455
1-Fluoro-2-cyclobutene
CID 11018801
Fluorobutene
CID 53929488
3,4-Difluorocyclobutene
CID 91242934
Fluoro-z-penten
CID 129808908

Frequently Asked Questions

What is the IUPAC name of 2-fluoropenta-1,4-diene?
The IUPAC name of 2-fluoropenta-1,4-diene (CID 19969012) is 2-fluoropenta-1,4-diene.
What is the SMILES notation for 2-fluoropenta-1,4-diene?
The canonical SMILES for 2-fluoropenta-1,4-diene is C=CCC(=C)F.
What is the InChIKey of 2-fluoropenta-1,4-diene?
The InChIKey is KAWIQBXTFGLSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F/c1-3-4-5(2)6/h3H,1-2,4H2.
What are the key properties of 2-fluoropenta-1,4-diene?
2-fluoropenta-1,4-diene has a molecular weight of 86.11 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoropenta-1,4-diene is sourced from PubChem (CID 19969012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).