1,2,3,3,4,4-hexafluorocyclobutene

C4F6 — CID 12767

IUPAC1,2,3,3,4,4-hexafluorocyclobutene
SMILESFC1=C(F)C(F)(F)C1(F)F
InChIInChI=1S/C4F6/c5-1-2(6)4(9,10)3(1,7)8
InChIKeyQVHWOZCZUNPZPW-UHFFFAOYSA-N
MW162.03 g/mol
LogP2.42
Rot. Bonds

About 1,2,3,3,4,4-hexafluorocyclobutene

1,2,3,3,4,4-hexafluorocyclobutene (PubChem CID 12767) has the molecular formula C4F6 and a molecular weight of 162.03 g/mol. Its IUPAC name is 1,2,3,3,4,4-hexafluorocyclobutene.

Molecular Properties

Compound Name1,2,3,3,4,4-hexafluorocyclobutene
PubChem CID12767
Molecular FormulaC4F6
Molecular Weight162.03 g/mol
Exact Mass161.99
IUPAC Name1,2,3,3,4,4-hexafluorocyclobutene
SMILESFC1=C(F)C(F)(F)C1(F)F
InChIInChI=1S/C4F6/c5-1-2(6)4(9,10)3(1,7)8
InChIKeyQVHWOZCZUNPZPW-UHFFFAOYSA-N
XLogP2.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.03
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,1,2,3,3,4,4,4-Octafluorobut-1-ene
CID 67745
1,1,3,4,4,5,5,5-Octafluoro-1,2-pentadiene
CID 13513475
Pentafluoro-2-cyclobutene
CID 544430
Octafluoro-1,4-pentadiene
CID 13223781
Tetrafluorocyclobutene
CID 17898666
CID 141228872
CID 141228872
1,1,1,2,4,5,5,6,6,6-Decafluorohexa-2,3-diene
CID 143759178
1,1,3,4,4,5,6,6-Octafluorohexa-1,2,5-triene
CID 173386822
(E)-1,1,1,2,3,4,4,4-octafluorobut-2-ene;1,1,2,3,3,4,4,4-octafluorobut-1-ene
CID 88314842
1,2,3,3,4-Pentafluorocyclobutene
CID 177583911
1,2,3,3,4,4-Hexafluorocyclobutene;hydron
CID 19083376
1,1,1,2,3,4,4,4-Octafluorobut-2-ene;1,1,2,3,3,4,4,4-octafluorobut-1-ene
CID 173307973

Frequently Asked Questions

What is the IUPAC name of 1,2,3,3,4,4-hexafluorocyclobutene?
The IUPAC name of 1,2,3,3,4,4-hexafluorocyclobutene (CID 12767) is 1,2,3,3,4,4-hexafluorocyclobutene.
What is the SMILES notation for 1,2,3,3,4,4-hexafluorocyclobutene?
The canonical SMILES for 1,2,3,3,4,4-hexafluorocyclobutene is FC1=C(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,2,3,3,4,4-hexafluorocyclobutene?
The InChIKey is QVHWOZCZUNPZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F6/c5-1-2(6)4(9,10)3(1,7)8.
What are the key properties of 1,2,3,3,4,4-hexafluorocyclobutene?
1,2,3,3,4,4-hexafluorocyclobutene has a molecular weight of 162.03 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3,4,4-hexafluorocyclobutene is sourced from PubChem (CID 12767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).