1,3,3,4,4-pentafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclobutene

C8F14 — CID 14007675

IUPAC1,3,3,4,4-pentafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclobutene
SMILESFC1=C(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C8F14/c9-2-1(4(10,11)5(2,12)13)3(6(14,15)16,7(17,18)19)8(20,21)22
InChIKeySBBHUAWJGBYREY-UHFFFAOYSA-N
MW362.06 g/mol
LogP5.17
Rot. Bonds1

About 1,3,3,4,4-pentafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclobutene

1,3,3,4,4-pentafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclobutene (PubChem CID 14007675) has the molecular formula C8F14 and a molecular weight of 362.06 g/mol. Its IUPAC name is 1,3,3,4,4-pentafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclobutene.

Molecular Properties

Compound Name1,3,3,4,4-pentafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclobutene
PubChem CID14007675
Molecular FormulaC8F14
Molecular Weight362.06 g/mol
Exact Mass361.98
IUPAC Name1,3,3,4,4-pentafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclobutene
SMILESFC1=C(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C8F14/c9-2-1(4(10,11)5(2,12)13)3(6(14,15)16,7(17,18)19)8(20,21)22
InChIKeySBBHUAWJGBYREY-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.06
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,3,4,4-pentafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclobutene?
The IUPAC name of 1,3,3,4,4-pentafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclobutene (CID 14007675) is 1,3,3,4,4-pentafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclobutene.
What is the SMILES notation for 1,3,3,4,4-pentafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclobutene?
The canonical SMILES for 1,3,3,4,4-pentafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclobutene is FC1=C(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C(F)(F)C1(F)F.
What is the InChIKey of 1,3,3,4,4-pentafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclobutene?
The InChIKey is SBBHUAWJGBYREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8F14/c9-2-1(4(10,11)5(2,12)13)3(6(14,15)16,7(17,18)19)8(20,21)22.
What are the key properties of 1,3,3,4,4-pentafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclobutene?
1,3,3,4,4-pentafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclobutene has a molecular weight of 362.06 g/mol, XLogP of 5.17, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,4,4-pentafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclobutene is sourced from PubChem (CID 14007675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).