4,5,5-trifluoropenta-1,2,4-triene

C5H3F3 — CID 57190905

IUPAC4,5,5-trifluoropenta-1,2,4-triene
SMILESC=C=CC(F)=C(F)F
InChIInChI=1S/C5H3F3/c1-2-3-4(6)5(7)8/h3H,1H2
InChIKeyPJHYLMWOYYZEKS-UHFFFAOYSA-N
MW120.07 g/mol
LogP2.41
Rot. Bonds1

About 4,5,5-trifluoropenta-1,2,4-triene

4,5,5-trifluoropenta-1,2,4-triene (PubChem CID 57190905) has the molecular formula C5H3F3 and a molecular weight of 120.07 g/mol. Its IUPAC name is 4,5,5-trifluoropenta-1,2,4-triene.

Molecular Properties

Compound Name4,5,5-trifluoropenta-1,2,4-triene
PubChem CID57190905
Molecular FormulaC5H3F3
Molecular Weight120.07 g/mol
Exact Mass120.02
IUPAC Name4,5,5-trifluoropenta-1,2,4-triene
SMILESC=C=CC(F)=C(F)F
InChIInChI=1S/C5H3F3/c1-2-3-4(6)5(7)8/h3H,1H2
InChIKeyPJHYLMWOYYZEKS-UHFFFAOYSA-N
XLogP2.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.07
LogP ≤ 52.41
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

1,1,4,4-Tetrafluoro-1,3-butadiene
CID 136257
Alkenes, C4-20 alpha-, gamma-omega-perfluoro
CID 109645
1,1,2,4,4-Pentafluoro-1,3-butadiene
CID 19748036
4,4,4-Trifluorobuta-1,2-diene
CID 22159641
Vinylidene 1,1-difluoroethane
CID 15710920
1,1,3-Trifluoro-1,3-butadiene
CID 21252219
1,1,3-Trifluoroprop-1-ene
CID 22956412
1,1,2,3-Tetrafluoro-1,3-butadiene
CID 23236060
1,1,4,4,4-Pentafluorobuta-1,2-diene
CID 87447839
(3E)-1,1,4-trifluorobuta-1,3-diene
CID 18927928
1,1,1,5,5,5-Hexafluoro-2,3-pentadiene
CID 10844993
3,4,5,5-Tetrafluoropenta-1,2,4-triene
CID 17840515

Frequently Asked Questions

What is the IUPAC name of 4,5,5-trifluoropenta-1,2,4-triene?
The IUPAC name of 4,5,5-trifluoropenta-1,2,4-triene (CID 57190905) is 4,5,5-trifluoropenta-1,2,4-triene.
What is the SMILES notation for 4,5,5-trifluoropenta-1,2,4-triene?
The canonical SMILES for 4,5,5-trifluoropenta-1,2,4-triene is C=C=CC(F)=C(F)F.
What is the InChIKey of 4,5,5-trifluoropenta-1,2,4-triene?
The InChIKey is PJHYLMWOYYZEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3/c1-2-3-4(6)5(7)8/h3H,1H2.
What are the key properties of 4,5,5-trifluoropenta-1,2,4-triene?
4,5,5-trifluoropenta-1,2,4-triene has a molecular weight of 120.07 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5-trifluoropenta-1,2,4-triene is sourced from PubChem (CID 57190905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).