3,3-difluoro-1-(1,1,2,2,2-pentafluoroethyl)-2,4,4-tris(trifluoromethyl)cyclobutene

C9F16 — CID 12708036

IUPAC3,3-difluoro-1-(1,1,2,2,2-pentafluoroethyl)-2,4,4-tris(trifluoromethyl)cyclobutene
SMILESFC(F)(F)C1=C(C(F)(F)C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)C1(F)F
InChIInChI=1S/C9F16/c10-4(11)2(6(14,15)16)1(5(12,13)9(23,24)25)3(4,7(17,18)19)8(20,21)22
InChIKeyIFFSWRSBCZFNSQ-UHFFFAOYSA-N
MW412.07 g/mol
LogP5.80
Rot. Bonds1

About 3,3-difluoro-1-(1,1,2,2,2-pentafluoroethyl)-2,4,4-tris(trifluoromethyl)cyclobutene

3,3-difluoro-1-(1,1,2,2,2-pentafluoroethyl)-2,4,4-tris(trifluoromethyl)cyclobutene (PubChem CID 12708036) has the molecular formula C9F16 and a molecular weight of 412.07 g/mol. Its IUPAC name is 3,3-difluoro-1-(1,1,2,2,2-pentafluoroethyl)-2,4,4-tris(trifluoromethyl)cyclobutene.

Molecular Properties

Compound Name3,3-difluoro-1-(1,1,2,2,2-pentafluoroethyl)-2,4,4-tris(trifluoromethyl)cyclobutene
PubChem CID12708036
Molecular FormulaC9F16
Molecular Weight412.07 g/mol
Exact Mass411.97
IUPAC Name3,3-difluoro-1-(1,1,2,2,2-pentafluoroethyl)-2,4,4-tris(trifluoromethyl)cyclobutene
SMILESFC(F)(F)C1=C(C(F)(F)C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)C1(F)F
InChIInChI=1S/C9F16/c10-4(11)2(6(14,15)16)1(5(12,13)9(23,24)25)3(4,7(17,18)19)8(20,21)22
InChIKeyIFFSWRSBCZFNSQ-UHFFFAOYSA-N
XLogP5.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.07
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Perfluorohexamethyl dewar benzene
CID 141008
Perfluoro-2,6,6-trimethyl-2-heptene
CID 12660884
Perfluoro-3,4-dimethyl-4-ethylhex-2-ene
CID 527537
4-(Difluoromethylidene)-1,1,1,2,2,3,6,6,7,7,7-undecafluoro-5-(1,1,2,2,2-pentafluoroethyl)-3,5-bis(trifluoromethyl)heptane
CID 12872782
Perfluoro-t-butylcyclobutene
CID 14007675
1,2,3,3,4,4-Hexakis(trifluoromethyl)cyclobutene
CID 139264064
2-Hexene, 4-ethyl, 3,4-dimethyl, perfluoro-
CID 5352546
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-Trifluoro-1,2,4-tris(trifluoromethyl)cyclobutene
CID 12708034
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
4-(Difluoromethylidene)-1,1,1,2,2,6,6,7,7,7-decafluoro-3,5-bis(1,1,2,2,2-pentafluoroethyl)-3,5-bis(trifluoromethyl)heptane
CID 134874191

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(1,1,2,2,2-pentafluoroethyl)-2,4,4-tris(trifluoromethyl)cyclobutene?
The IUPAC name of 3,3-difluoro-1-(1,1,2,2,2-pentafluoroethyl)-2,4,4-tris(trifluoromethyl)cyclobutene (CID 12708036) is 3,3-difluoro-1-(1,1,2,2,2-pentafluoroethyl)-2,4,4-tris(trifluoromethyl)cyclobutene.
What is the SMILES notation for 3,3-difluoro-1-(1,1,2,2,2-pentafluoroethyl)-2,4,4-tris(trifluoromethyl)cyclobutene?
The canonical SMILES for 3,3-difluoro-1-(1,1,2,2,2-pentafluoroethyl)-2,4,4-tris(trifluoromethyl)cyclobutene is FC(F)(F)C1=C(C(F)(F)C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)C1(F)F.
What is the InChIKey of 3,3-difluoro-1-(1,1,2,2,2-pentafluoroethyl)-2,4,4-tris(trifluoromethyl)cyclobutene?
The InChIKey is IFFSWRSBCZFNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9F16/c10-4(11)2(6(14,15)16)1(5(12,13)9(23,24)25)3(4,7(17,18)19)8(20,21)22.
What are the key properties of 3,3-difluoro-1-(1,1,2,2,2-pentafluoroethyl)-2,4,4-tris(trifluoromethyl)cyclobutene?
3,3-difluoro-1-(1,1,2,2,2-pentafluoroethyl)-2,4,4-tris(trifluoromethyl)cyclobutene has a molecular weight of 412.07 g/mol, XLogP of 5.80, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(1,1,2,2,2-pentafluoroethyl)-2,4,4-tris(trifluoromethyl)cyclobutene is sourced from PubChem (CID 12708036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).