5,5,5-trifluoropenta-1,2-diene

C5H5F3 — CID 57249615

IUPAC5,5,5-trifluoropenta-1,2-diene
SMILESC=C=CCC(F)(F)F
InChIInChI=1S/C5H5F3/c1-2-3-4-5(6,7)8/h3H,1,4H2
InChIKeyWELNFUGLQRIVCV-UHFFFAOYSA-N
MW122.09 g/mol
LogP2.28
Rot. Bonds1

About 5,5,5-trifluoropenta-1,2-diene

5,5,5-trifluoropenta-1,2-diene (PubChem CID 57249615) has the molecular formula C5H5F3 and a molecular weight of 122.09 g/mol. Its IUPAC name is 5,5,5-trifluoropenta-1,2-diene.

Molecular Properties

Compound Name5,5,5-trifluoropenta-1,2-diene
PubChem CID57249615
Molecular FormulaC5H5F3
Molecular Weight122.09 g/mol
Exact Mass122.03
IUPAC Name5,5,5-trifluoropenta-1,2-diene
SMILESC=C=CCC(F)(F)F
InChIInChI=1S/C5H5F3/c1-2-3-4-5(6,7)8/h3H,1,4H2
InChIKeyWELNFUGLQRIVCV-UHFFFAOYSA-N
XLogP2.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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

4,4,4-Trifluoro-1-butene
CID 10887850
1,1-Difluorobut-1-ene
CID 2782310
1,1,3,3,4,4,4-Heptafluoro-1-butene
CID 21096859
1,1-Difluoro-4-iodo-but-1-ene
CID 21850593
3,3,4,4-Tetrafluorohexa-1,5-diene
CID 74482
1,1,2-Trifluoropenta-1,4-diene
CID 272689
3,3,4,4-Tetrafluoro-1-butene
CID 555149
3,3-Difluorobut-1-ene
CID 14123435
1,1,6,6-Tetrafluoro-1,5-hexadiene
CID 12965533
1,1-Difluoropent-1-ene
CID 13087753
3,3-Difluoro-1,4-pentadiene
CID 13759164
Vinylidene 1,1-difluoroethane
CID 15710920

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoropenta-1,2-diene?
The IUPAC name of 5,5,5-trifluoropenta-1,2-diene (CID 57249615) is 5,5,5-trifluoropenta-1,2-diene.
What is the SMILES notation for 5,5,5-trifluoropenta-1,2-diene?
The canonical SMILES for 5,5,5-trifluoropenta-1,2-diene is C=C=CCC(F)(F)F.
What is the InChIKey of 5,5,5-trifluoropenta-1,2-diene?
The InChIKey is WELNFUGLQRIVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3/c1-2-3-4-5(6,7)8/h3H,1,4H2.
What are the key properties of 5,5,5-trifluoropenta-1,2-diene?
5,5,5-trifluoropenta-1,2-diene has a molecular weight of 122.09 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoropenta-1,2-diene is sourced from PubChem (CID 57249615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).