(4E)-3-(difluoromethylidene)-1,1,2-trifluoro-4-(1,2,2,3,3,3-hexafluoropropylidene)-2-(1,1,2,2,2-pentafluoroethyl)cyclobutane

C10F16 — CID 134916025

IUPAC(4E)-3-(difluoromethylidene)-1,1,2-trifluoro-4-(1,2,2,3,3,3-hexafluoropropylidene)-2-(1,1,2,2,2-pentafluoroethyl)cyclobutane
SMILESFC(F)=C1/C(=C(\F)C(F)(F)C(F)(F)F)C(F)(F)C1(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10F16/c11-3(7(17,18)9(21,22)23)1-2(4(12)13)5(14,6(1,15)16)8(19,20)10(24,25)26/b3-1+
InChIKeyVNUVDKPLFKAYIJ-HNQUOIGGSA-N
MW424.08 g/mol
LogP6.11
Rot. Bonds2

About (4E)-3-(difluoromethylidene)-1,1,2-trifluoro-4-(1,2,2,3,3,3-hexafluoropropylidene)-2-(1,1,2,2,2-pentafluoroethyl)cyclobutane

(4E)-3-(difluoromethylidene)-1,1,2-trifluoro-4-(1,2,2,3,3,3-hexafluoropropylidene)-2-(1,1,2,2,2-pentafluoroethyl)cyclobutane (PubChem CID 134916025) has the molecular formula C10F16 and a molecular weight of 424.08 g/mol. Its IUPAC name is (4E)-3-(difluoromethylidene)-1,1,2-trifluoro-4-(1,2,2,3,3,3-hexafluoropropylidene)-2-(1,1,2,2,2-pentafluoroethyl)cyclobutane.

Molecular Properties

Compound Name(4E)-3-(difluoromethylidene)-1,1,2-trifluoro-4-(1,2,2,3,3,3-hexafluoropropylidene)-2-(1,1,2,2,2-pentafluoroethyl)cyclobutane
PubChem CID134916025
Molecular FormulaC10F16
Molecular Weight424.08 g/mol
Exact Mass423.97
IUPAC Name(4E)-3-(difluoromethylidene)-1,1,2-trifluoro-4-(1,2,2,3,3,3-hexafluoropropylidene)-2-(1,1,2,2,2-pentafluoroethyl)cyclobutane
SMILESFC(F)=C1/C(=C(\F)C(F)(F)C(F)(F)F)C(F)(F)C1(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10F16/c11-3(7(17,18)9(21,22)23)1-2(4(12)13)5(14,6(1,15)16)8(19,20)10(24,25)26/b3-1+
InChIKeyVNUVDKPLFKAYIJ-HNQUOIGGSA-N
XLogP6.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.08
LogP ≤ 56.11
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

3,3-Difluoro-1,2-bis(trifluoromethyl)-4-(difluoromethylene)cyclobutene
CID 23233546
(4E)-1-fluoro-4-[1,1,1,3,4,4,4-heptafluoro-3-(trifluoromethyl)butan-2-ylidene]-2,3,3-tris(trifluoromethyl)cyclobutene
CID 12710296
(4Z)-1-fluoro-4-[1,1,1,3,4,4,4-heptafluoro-3-(trifluoromethyl)butan-2-ylidene]-2,3,3-tris(trifluoromethyl)cyclobutene
CID 21732860
5-Fluoro-1,2,3,4,5-pentakis(trifluoromethyl)cyclopenta-1,3-diene
CID 140036070
3-(Difluoromethylidene)-1-fluoro-2-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)cyclopropene
CID 140118122
1-[4-(Difluoromethylidene)-2,3,3-trifluorocyclobuten-1-yl]-1,2,2,3,3,4,4-heptafluorocyclobutane
CID 140118128
1-[3-(Difluoromethylidene)-2-fluorocyclopropen-1-yl]-1,2,2,3,3,4,4-heptafluorocyclobutane
CID 140118140
4-(Difluoromethylidene)-2,3,3-trifluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclobutene
CID 140118143
4-(Difluoromethylidene)-2,3,3-trifluoro-1-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)cyclobutene
CID 140118150
4-(Difluoromethylidene)-2,3,3-trifluoro-1-(1,1,2,2,2-pentafluoroethyl)cyclobutene
CID 140118164
4-(Difluoromethylidene)-2,3,3-trifluoro-1-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclobutene
CID 140118181
4-(Difluoromethylidene)-2,3,3-trifluoro-1-(1,1,2,2,3,3,3-heptafluoropropyl)cyclobutene
CID 140118205

Frequently Asked Questions

What is the IUPAC name of (4E)-3-(difluoromethylidene)-1,1,2-trifluoro-4-(1,2,2,3,3,3-hexafluoropropylidene)-2-(1,1,2,2,2-pentafluoroethyl)cyclobutane?
The IUPAC name of (4E)-3-(difluoromethylidene)-1,1,2-trifluoro-4-(1,2,2,3,3,3-hexafluoropropylidene)-2-(1,1,2,2,2-pentafluoroethyl)cyclobutane (CID 134916025) is (4E)-3-(difluoromethylidene)-1,1,2-trifluoro-4-(1,2,2,3,3,3-hexafluoropropylidene)-2-(1,1,2,2,2-pentafluoroethyl)cyclobutane.
What is the SMILES notation for (4E)-3-(difluoromethylidene)-1,1,2-trifluoro-4-(1,2,2,3,3,3-hexafluoropropylidene)-2-(1,1,2,2,2-pentafluoroethyl)cyclobutane?
The canonical SMILES for (4E)-3-(difluoromethylidene)-1,1,2-trifluoro-4-(1,2,2,3,3,3-hexafluoropropylidene)-2-(1,1,2,2,2-pentafluoroethyl)cyclobutane is FC(F)=C1/C(=C(\F)C(F)(F)C(F)(F)F)C(F)(F)C1(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (4E)-3-(difluoromethylidene)-1,1,2-trifluoro-4-(1,2,2,3,3,3-hexafluoropropylidene)-2-(1,1,2,2,2-pentafluoroethyl)cyclobutane?
The InChIKey is VNUVDKPLFKAYIJ-HNQUOIGGSA-N. The full InChI is InChI=1S/C10F16/c11-3(7(17,18)9(21,22)23)1-2(4(12)13)5(14,6(1,15)16)8(19,20)10(24,25)26/b3-1+.
What are the key properties of (4E)-3-(difluoromethylidene)-1,1,2-trifluoro-4-(1,2,2,3,3,3-hexafluoropropylidene)-2-(1,1,2,2,2-pentafluoroethyl)cyclobutane?
(4E)-3-(difluoromethylidene)-1,1,2-trifluoro-4-(1,2,2,3,3,3-hexafluoropropylidene)-2-(1,1,2,2,2-pentafluoroethyl)cyclobutane has a molecular weight of 424.08 g/mol, XLogP of 6.11, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-3-(difluoromethylidene)-1,1,2-trifluoro-4-(1,2,2,3,3,3-hexafluoropropylidene)-2-(1,1,2,2,2-pentafluoroethyl)cyclobutane is sourced from PubChem (CID 134916025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).