1,1,1-trifluoropenta-2,3-diene

C5H5F3 — CID 56991262

IUPAC1,1,1-trifluoropenta-2,3-diene
SMILESCC=C=CC(F)(F)F
InChIInChI=1S/C5H5F3/c1-2-3-4-5(6,7)8/h2,4H,1H3
InChIKeyIIYAYGKUCJUYGD-UHFFFAOYSA-N
MW122.09 g/mol
LogP2.28
Rot. Bonds

About 1,1,1-trifluoropenta-2,3-diene

1,1,1-trifluoropenta-2,3-diene (PubChem CID 56991262) has the molecular formula C5H5F3 and a molecular weight of 122.09 g/mol. Its IUPAC name is 1,1,1-trifluoropenta-2,3-diene.

Molecular Properties

Compound Name1,1,1-trifluoropenta-2,3-diene
PubChem CID56991262
Molecular FormulaC5H5F3
Molecular Weight122.09 g/mol
Exact Mass122.03
IUPAC Name1,1,1-trifluoropenta-2,3-diene
SMILESCC=C=CC(F)(F)F
InChIInChI=1S/C5H5F3/c1-2-3-4-5(6,7)8/h2,4H,1H3
InChIKeyIIYAYGKUCJUYGD-UHFFFAOYSA-N
XLogP2.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.09
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1-Difluoropropene
CID 521131
1,1-Difluorobut-1-ene
CID 2782310
4,4,4-Trifluorobuta-1,2-diene
CID 22159641
Vinylidene 1,1-difluoroethane
CID 15710920
3,4,4,4-Tetrafluoro-2-butene
CID 54079952
1,1,1-Trifluoro-4-methylpenta-2,3-diene
CID 57083559
1,1-Difluoro-3-ethylallene
CID 57662812
(Z)-1,1,1,2-tetrafluorobut-2-ene
CID 12571353
(2E)-1,1,1,2-Tetrafluorobut-2-ene
CID 23236241
3,3-Difluoroprop-2-enyl(trimethyl)stannane
CID 12520954
1,1-Difluoropenta-2,3-diene
CID 15710922
1,1-Difluorobuta-1,2-diene
CID 20197104

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoropenta-2,3-diene?
The IUPAC name of 1,1,1-trifluoropenta-2,3-diene (CID 56991262) is 1,1,1-trifluoropenta-2,3-diene.
What is the SMILES notation for 1,1,1-trifluoropenta-2,3-diene?
The canonical SMILES for 1,1,1-trifluoropenta-2,3-diene is CC=C=CC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoropenta-2,3-diene?
The InChIKey is IIYAYGKUCJUYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3/c1-2-3-4-5(6,7)8/h2,4H,1H3.
What are the key properties of 1,1,1-trifluoropenta-2,3-diene?
1,1,1-trifluoropenta-2,3-diene has a molecular weight of 122.09 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoropenta-2,3-diene is sourced from PubChem (CID 56991262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).