2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,3-tris(trifluoromethyl)cyclobutene

C10H2F16 — CID 54369101

IUPAC2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,3-tris(trifluoromethyl)cyclobutene
SMILESFC(F)(F)C1=C(C(F)(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)C1
InChIInChI=1S/C10H2F16/c11-5(9(21,22)23,10(24,25)26)3-2(6(12,13)14)1-4(3,7(15,16)17)8(18,19)20/h1H2
InChIKeyURWMOMJLJAMJRP-UHFFFAOYSA-N
MW426.09 g/mol
LogP6.19
Rot. Bonds1

About 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,3-tris(trifluoromethyl)cyclobutene

2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,3-tris(trifluoromethyl)cyclobutene (PubChem CID 54369101) has the molecular formula C10H2F16 and a molecular weight of 426.09 g/mol. Its IUPAC name is 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,3-tris(trifluoromethyl)cyclobutene.

Molecular Properties

Compound Name2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,3-tris(trifluoromethyl)cyclobutene
PubChem CID54369101
Molecular FormulaC10H2F16
Molecular Weight426.09 g/mol
Exact Mass425.99
IUPAC Name2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,3-tris(trifluoromethyl)cyclobutene
SMILESFC(F)(F)C1=C(C(F)(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)C1
InChIInChI=1S/C10H2F16/c11-5(9(21,22)23,10(24,25)26)3-2(6(12,13)14)1-4(3,7(15,16)17)8(18,19)20/h1H2
InChIKeyURWMOMJLJAMJRP-UHFFFAOYSA-N
XLogP6.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.09
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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
1,4,5,5-Tetrafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,3-bis(trifluoromethyl)cyclopentene
CID 134879577
1,4,5,5-Tetrafluoro-2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-3,3-bis(trifluoromethyl)cyclopentene
CID 134933417
Perfluoro[1-(1-ethyl-1-methylpropyl)]cyclohexene
CID 550630
1-[1,1,1,3,3,4,4,5,5,5-Decafluoro-2-(trifluoromethyl)pentan-2-yl]-2,3,3,4,4-pentafluorocyclobutene
CID 12563822
3,3-Difluoro-2-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-4,4-bis(trifluoromethyl)-1-[2,2,2-trifluoro-1-(trifluoromethyl)ethyl]cyclobutene
CID 12600358
4,4-Difluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-3,3-bis(trifluoromethyl)cyclobutene
CID 12600360
3,3-Difluoro-1-(1,1,2,2,2-pentafluoroethyl)-2,4,4-tris(trifluoromethyl)cyclobutene
CID 12708036
3,3-Difluoro-1,2-bis(1,1,1,3,3,3-hexafluoropropan-2-yl)-4,4-bis(trifluoromethyl)cyclobutene
CID 13108420
3,3-Difluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4,4-bis(trifluoromethyl)cyclobutene
CID 13108421
1,3,3,4,4,5,6,6-Octafluoro-2-[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]-5-(trifluoromethyl)cyclohexene
CID 91695339
(E)-1,1,1,2,5,5,6,6,7,7,8,8,8-tridecafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)oct-2-ene
CID 20384747

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,3-tris(trifluoromethyl)cyclobutene?
The IUPAC name of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,3-tris(trifluoromethyl)cyclobutene (CID 54369101) is 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,3-tris(trifluoromethyl)cyclobutene.
What is the SMILES notation for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,3-tris(trifluoromethyl)cyclobutene?
The canonical SMILES for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,3-tris(trifluoromethyl)cyclobutene is FC(F)(F)C1=C(C(F)(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)C1.
What is the InChIKey of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,3-tris(trifluoromethyl)cyclobutene?
The InChIKey is URWMOMJLJAMJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H2F16/c11-5(9(21,22)23,10(24,25)26)3-2(6(12,13)14)1-4(3,7(15,16)17)8(18,19)20/h1H2.
What are the key properties of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,3-tris(trifluoromethyl)cyclobutene?
2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,3-tris(trifluoromethyl)cyclobutene has a molecular weight of 426.09 g/mol, XLogP of 6.19, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,3-tris(trifluoromethyl)cyclobutene is sourced from PubChem (CID 54369101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).