1,3,3,4,4-pentafluoro-2-[1,1,1,3,4,4,4-heptafluoro-2,3-bis(trifluoromethyl)butan-2-yl]cyclobutene

C10F18 — CID 12563821

IUPAC1,3,3,4,4-pentafluoro-2-[1,1,1,3,4,4,4-heptafluoro-2,3-bis(trifluoromethyl)butan-2-yl]cyclobutene
SMILESFC1=C(C(C(F)(F)F)(C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C10F18/c11-2-1(4(12,13)5(2,14)15)3(7(17,18)19,8(20,21)22)6(16,9(23,24)25)10(26,27)28
InChIKeyZQJPYXWATAKINF-UHFFFAOYSA-N
MW462.07 g/mol
LogP6.44
Rot. Bonds2

About 1,3,3,4,4-pentafluoro-2-[1,1,1,3,4,4,4-heptafluoro-2,3-bis(trifluoromethyl)butan-2-yl]cyclobutene

1,3,3,4,4-pentafluoro-2-[1,1,1,3,4,4,4-heptafluoro-2,3-bis(trifluoromethyl)butan-2-yl]cyclobutene (PubChem CID 12563821) has the molecular formula C10F18 and a molecular weight of 462.07 g/mol. Its IUPAC name is 1,3,3,4,4-pentafluoro-2-[1,1,1,3,4,4,4-heptafluoro-2,3-bis(trifluoromethyl)butan-2-yl]cyclobutene.

Molecular Properties

Compound Name1,3,3,4,4-pentafluoro-2-[1,1,1,3,4,4,4-heptafluoro-2,3-bis(trifluoromethyl)butan-2-yl]cyclobutene
PubChem CID12563821
Molecular FormulaC10F18
Molecular Weight462.07 g/mol
Exact Mass461.97
IUPAC Name1,3,3,4,4-pentafluoro-2-[1,1,1,3,4,4,4-heptafluoro-2,3-bis(trifluoromethyl)butan-2-yl]cyclobutene
SMILESFC1=C(C(C(F)(F)F)(C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C10F18/c11-2-1(4(12,13)5(2,14)15)3(7(17,18)19,8(20,21)22)6(16,9(23,24)25)10(26,27)28
InChIKeyZQJPYXWATAKINF-UHFFFAOYSA-N
XLogP6.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.07
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,3,3,4,4-pentafluoro-2-[1,1,1,3,4,4,4-heptafluoro-2,3-bis(trifluoromethyl)butan-2-yl]cyclobutene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3,3,4,4-pentafluoro-2-[1,1,1,3,4,4,4-heptafluoro-2,3-bis(trifluoromethyl)butan-2-yl]cyclobutene?
The IUPAC name of 1,3,3,4,4-pentafluoro-2-[1,1,1,3,4,4,4-heptafluoro-2,3-bis(trifluoromethyl)butan-2-yl]cyclobutene (CID 12563821) is 1,3,3,4,4-pentafluoro-2-[1,1,1,3,4,4,4-heptafluoro-2,3-bis(trifluoromethyl)butan-2-yl]cyclobutene.
What is the SMILES notation for 1,3,3,4,4-pentafluoro-2-[1,1,1,3,4,4,4-heptafluoro-2,3-bis(trifluoromethyl)butan-2-yl]cyclobutene?
The canonical SMILES for 1,3,3,4,4-pentafluoro-2-[1,1,1,3,4,4,4-heptafluoro-2,3-bis(trifluoromethyl)butan-2-yl]cyclobutene is FC1=C(C(C(F)(F)F)(C(F)(F)F)C(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-[1,1,1,3,4,4,4-heptafluoro-2,3-bis(trifluoromethyl)butan-2-yl]cyclobutene?
The InChIKey is ZQJPYXWATAKINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F18/c11-2-1(4(12,13)5(2,14)15)3(7(17,18)19,8(20,21)22)6(16,9(23,24)25)10(26,27)28.
What are the key properties of 1,3,3,4,4-pentafluoro-2-[1,1,1,3,4,4,4-heptafluoro-2,3-bis(trifluoromethyl)butan-2-yl]cyclobutene?
1,3,3,4,4-pentafluoro-2-[1,1,1,3,4,4,4-heptafluoro-2,3-bis(trifluoromethyl)butan-2-yl]cyclobutene has a molecular weight of 462.07 g/mol, XLogP of 6.44, 2 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-[1,1,1,3,4,4,4-heptafluoro-2,3-bis(trifluoromethyl)butan-2-yl]cyclobutene is sourced from PubChem (CID 12563821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).