1,1,1,5,5,5-hexafluoro-2-(trifluoromethyl)penta-2,3-diene

C6HF9 — CID 15311657

IUPAC1,1,1,5,5,5-hexafluoro-2-(trifluoromethyl)penta-2,3-diene
SMILESFC(F)(F)C=C=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6HF9/c7-4(8,9)2-1-3(5(10,11)12)6(13,14)15/h2H
InChIKeyHCXRQZKOTOHZKP-UHFFFAOYSA-N
MW244.06 g/mol
LogP3.75
Rot. Bonds

About 1,1,1,5,5,5-hexafluoro-2-(trifluoromethyl)penta-2,3-diene

1,1,1,5,5,5-hexafluoro-2-(trifluoromethyl)penta-2,3-diene (PubChem CID 15311657) has the molecular formula C6HF9 and a molecular weight of 244.06 g/mol. Its IUPAC name is 1,1,1,5,5,5-hexafluoro-2-(trifluoromethyl)penta-2,3-diene.

Molecular Properties

Compound Name1,1,1,5,5,5-hexafluoro-2-(trifluoromethyl)penta-2,3-diene
PubChem CID15311657
Molecular FormulaC6HF9
Molecular Weight244.06 g/mol
Exact Mass243.99
IUPAC Name1,1,1,5,5,5-hexafluoro-2-(trifluoromethyl)penta-2,3-diene
SMILESFC(F)(F)C=C=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6HF9/c7-4(8,9)2-1-3(5(10,11)12)6(13,14)15/h2H
InChIKeyHCXRQZKOTOHZKP-UHFFFAOYSA-N
XLogP3.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.06
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,3,3-Trifluoro-2-(trifluoromethyl)-1-propene
CID 91450
3H-Perfluoro-2-butene
CID 11053485
1,3,3,3-Tetrafluoro-2-(trifluoromethyl)propene
CID 12633092
3,3-Bis(trifluoromethyl)allene
CID 13267239
1,1,3,3,3-Pentafluoro-2-(fluoromethyl)-1-propene
CID 11480623
Tetrafluoro-2-(trifluoromethyl) propene
CID 20496975
1,1-Difluoroethene;3,3,3-trifluoro-2-(trifluoromethyl)prop-1-ene
CID 87333662
3,3-Difluoro-1-(trifluoromethyl)cyclopropene
CID 21731908
Yqmnsajicnbtje-uhfffaoysa-
CID 23270119
1,1,1,5,5,5-Hexafluoro-2,3-pentadiene
CID 10844993
1,1,1-Trifluoro-2-(trifluoromethyl)but-2-ene
CID 13700728
2-(Difluoromethyl)-1,3,3-trifluoroprop-1-ene
CID 19788850

Frequently Asked Questions

What is the IUPAC name of 1,1,1,5,5,5-hexafluoro-2-(trifluoromethyl)penta-2,3-diene?
The IUPAC name of 1,1,1,5,5,5-hexafluoro-2-(trifluoromethyl)penta-2,3-diene (CID 15311657) is 1,1,1,5,5,5-hexafluoro-2-(trifluoromethyl)penta-2,3-diene.
What is the SMILES notation for 1,1,1,5,5,5-hexafluoro-2-(trifluoromethyl)penta-2,3-diene?
The canonical SMILES for 1,1,1,5,5,5-hexafluoro-2-(trifluoromethyl)penta-2,3-diene is FC(F)(F)C=C=C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,5,5,5-hexafluoro-2-(trifluoromethyl)penta-2,3-diene?
The InChIKey is HCXRQZKOTOHZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF9/c7-4(8,9)2-1-3(5(10,11)12)6(13,14)15/h2H.
What are the key properties of 1,1,1,5,5,5-hexafluoro-2-(trifluoromethyl)penta-2,3-diene?
1,1,1,5,5,5-hexafluoro-2-(trifluoromethyl)penta-2,3-diene has a molecular weight of 244.06 g/mol, XLogP of 3.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,5,5,5-hexafluoro-2-(trifluoromethyl)penta-2,3-diene is sourced from PubChem (CID 15311657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).