3-fluoropenta-1,2,4-triene

C5H5F — CID 173385875

IUPAC3-fluoropenta-1,2,4-triene
SMILESC=C=C(F)C=C
InChIInChI=1S/C5H5F/c1-3-5(6)4-2/h3H,1-2H2
InChIKeyNNCXRRFHJXZMGI-UHFFFAOYSA-N
MW84.09 g/mol
LogP1.81
Rot. Bonds1

About 3-fluoropenta-1,2,4-triene

3-fluoropenta-1,2,4-triene (PubChem CID 173385875) has the molecular formula C5H5F and a molecular weight of 84.09 g/mol. Its IUPAC name is 3-fluoropenta-1,2,4-triene.

Molecular Properties

Compound Name3-fluoropenta-1,2,4-triene
PubChem CID173385875
Molecular FormulaC5H5F
Molecular Weight84.09 g/mol
Exact Mass84.04
IUPAC Name3-fluoropenta-1,2,4-triene
SMILESC=C=C(F)C=C
InChIInChI=1S/C5H5F/c1-3-5(6)4-2/h3H,1-2H2
InChIKeyNNCXRRFHJXZMGI-UHFFFAOYSA-N
XLogP1.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.09
LogP ≤ 51.81
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
1-Fluoro-1,3-butadiene
CID 53915310
Fluorobutadiene
CID 11378441
trans,trans-1,4-Difluorobutadiene
CID 22465951
1,4-Difluorobuta-1,3-diene
CID 71359695
cis,cis-1,4-Difluoro-1,3-butadiene
CID 92017310
(e,z)-1,4-Difluoro-1,3-butadiene
CID 100998743
(1Z)-1,2-difluorobuta-1,3-diene
CID 18317121
4-Fluorobuta-1,2-diene
CID 22159642
1,2-Difluorobuta-1,3-diene
CID 53779775
5-Fluoropenta-1,2,3-triene
CID 56990538
(1Z)-1-fluorobuta-1,3-diene
CID 59061974

Frequently Asked Questions

What is the IUPAC name of 3-fluoropenta-1,2,4-triene?
The IUPAC name of 3-fluoropenta-1,2,4-triene (CID 173385875) is 3-fluoropenta-1,2,4-triene.
What is the SMILES notation for 3-fluoropenta-1,2,4-triene?
The canonical SMILES for 3-fluoropenta-1,2,4-triene is C=C=C(F)C=C.
What is the InChIKey of 3-fluoropenta-1,2,4-triene?
The InChIKey is NNCXRRFHJXZMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F/c1-3-5(6)4-2/h3H,1-2H2.
What are the key properties of 3-fluoropenta-1,2,4-triene?
3-fluoropenta-1,2,4-triene has a molecular weight of 84.09 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropenta-1,2,4-triene is sourced from PubChem (CID 173385875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).