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

C8H5F9 — CID 175082747

IUPAC1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclobutene
SMILESFC(F)(F)C(C1=CCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H5F9/c9-6(10,11)5(7(12,13)14,8(15,16)17)4-2-1-3-4/h2H,1,3H2
InChIKeySUZCQKHNFVZGND-UHFFFAOYSA-N
MW272.11 g/mol
LogP4.38
Rot. Bonds1

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

1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclobutene (PubChem CID 175082747) has the molecular formula C8H5F9 and a molecular weight of 272.11 g/mol. Its IUPAC name is 1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclobutene.

Molecular Properties

Compound Name1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclobutene
PubChem CID175082747
Molecular FormulaC8H5F9
Molecular Weight272.11 g/mol
Exact Mass272.02
IUPAC Name1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclobutene
SMILESFC(F)(F)C(C1=CCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H5F9/c9-6(10,11)5(7(12,13)14,8(15,16)17)4-2-1-3-4/h2H,1,3H2
InChIKeySUZCQKHNFVZGND-UHFFFAOYSA-N
XLogP4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.11
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclobutene?
The IUPAC name of 1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclobutene (CID 175082747) is 1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclobutene.
What is the SMILES notation for 1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclobutene?
The canonical SMILES for 1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclobutene is FC(F)(F)C(C1=CCC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclobutene?
The InChIKey is SUZCQKHNFVZGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F9/c9-6(10,11)5(7(12,13)14,8(15,16)17)4-2-1-3-4/h2H,1,3H2.
What are the key properties of 1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclobutene?
1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclobutene has a molecular weight of 272.11 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclobutene is sourced from PubChem (CID 175082747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).