1,3,3,4,4-pentafluoro-2-[1,1,1,3,3,4,5,5,5-nonafluoro-2,4-bis(trifluoromethyl)pentan-2-yl]cyclobutene

C11F20 — CID 155681385

IUPAC1,3,3,4,4-pentafluoro-2-[1,1,1,3,3,4,5,5,5-nonafluoro-2,4-bis(trifluoromethyl)pentan-2-yl]cyclobutene
SMILESFC1=C(C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C11F20/c12-2-1(4(13,14)5(2,15)16)3(8(20,21)22,9(23,24)25)7(18,19)6(17,10(26,27)28)11(29,30)31
InChIKeyCETIJKMPEKQAFB-UHFFFAOYSA-N
MW512.08 g/mol
LogP7.07
Rot. Bonds3

About 1,3,3,4,4-pentafluoro-2-[1,1,1,3,3,4,5,5,5-nonafluoro-2,4-bis(trifluoromethyl)pentan-2-yl]cyclobutene

1,3,3,4,4-pentafluoro-2-[1,1,1,3,3,4,5,5,5-nonafluoro-2,4-bis(trifluoromethyl)pentan-2-yl]cyclobutene (PubChem CID 155681385) has the molecular formula C11F20 and a molecular weight of 512.08 g/mol. Its IUPAC name is 1,3,3,4,4-pentafluoro-2-[1,1,1,3,3,4,5,5,5-nonafluoro-2,4-bis(trifluoromethyl)pentan-2-yl]cyclobutene.

Molecular Properties

Compound Name1,3,3,4,4-pentafluoro-2-[1,1,1,3,3,4,5,5,5-nonafluoro-2,4-bis(trifluoromethyl)pentan-2-yl]cyclobutene
PubChem CID155681385
Molecular FormulaC11F20
Molecular Weight512.08 g/mol
Exact Mass511.97
IUPAC Name1,3,3,4,4-pentafluoro-2-[1,1,1,3,3,4,5,5,5-nonafluoro-2,4-bis(trifluoromethyl)pentan-2-yl]cyclobutene
SMILESFC1=C(C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C11F20/c12-2-1(4(13,14)5(2,15)16)3(8(20,21)22,9(23,24)25)7(18,19)6(17,10(26,27)28)11(29,30)31
InChIKeyCETIJKMPEKQAFB-UHFFFAOYSA-N
XLogP7.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.08
LogP ≤ 57.07
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

1,2,3,3,4,4-Hexakis(trifluoromethyl)cyclobutene
CID 139264064
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
3,3,4,4-Tetrafluoro-1,2-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclobutene
CID 14007676
1,3,3,4,4,5,5-Heptafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclopentene
CID 14007677
Perfluoro[1-(1-ethyl-1-methylpropyl)]cyclohexene
CID 550630
1,3,3,4,4,5,5,6,6-Nonafluoro-2-[2,2,3,3,4,4-hexafluoro-1-(1,2,2,3,3,4,4-heptafluorocyclobutyl)cyclobutyl]cyclohexene
CID 12563814
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
1-(2-Chloro-1,1,1,3,3,3-hexafluoropropan-2-yl)-3,3-difluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4,4-bis(trifluoromethyl)cyclobutene
CID 12600359
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

Frequently Asked Questions

What is the IUPAC name of 1,3,3,4,4-pentafluoro-2-[1,1,1,3,3,4,5,5,5-nonafluoro-2,4-bis(trifluoromethyl)pentan-2-yl]cyclobutene?
The IUPAC name of 1,3,3,4,4-pentafluoro-2-[1,1,1,3,3,4,5,5,5-nonafluoro-2,4-bis(trifluoromethyl)pentan-2-yl]cyclobutene (CID 155681385) is 1,3,3,4,4-pentafluoro-2-[1,1,1,3,3,4,5,5,5-nonafluoro-2,4-bis(trifluoromethyl)pentan-2-yl]cyclobutene.
What is the SMILES notation for 1,3,3,4,4-pentafluoro-2-[1,1,1,3,3,4,5,5,5-nonafluoro-2,4-bis(trifluoromethyl)pentan-2-yl]cyclobutene?
The canonical SMILES for 1,3,3,4,4-pentafluoro-2-[1,1,1,3,3,4,5,5,5-nonafluoro-2,4-bis(trifluoromethyl)pentan-2-yl]cyclobutene is FC1=C(C(C(F)(F)F)(C(F)(F)F)C(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-[1,1,1,3,3,4,5,5,5-nonafluoro-2,4-bis(trifluoromethyl)pentan-2-yl]cyclobutene?
The InChIKey is CETIJKMPEKQAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11F20/c12-2-1(4(13,14)5(2,15)16)3(8(20,21)22,9(23,24)25)7(18,19)6(17,10(26,27)28)11(29,30)31.
What are the key properties of 1,3,3,4,4-pentafluoro-2-[1,1,1,3,3,4,5,5,5-nonafluoro-2,4-bis(trifluoromethyl)pentan-2-yl]cyclobutene?
1,3,3,4,4-pentafluoro-2-[1,1,1,3,3,4,5,5,5-nonafluoro-2,4-bis(trifluoromethyl)pentan-2-yl]cyclobutene has a molecular weight of 512.08 g/mol, XLogP of 7.07, 3 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-[1,1,1,3,3,4,5,5,5-nonafluoro-2,4-bis(trifluoromethyl)pentan-2-yl]cyclobutene is sourced from PubChem (CID 155681385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).