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

C16F30 — CID 175078772

IUPAC3,3,4,4-tetrafluoro-1,2-bis[1,1,1,3,4,4,4-heptafluoro-2,3-bis(trifluoromethyl)butan-2-yl]cyclobutene
SMILESFC(F)(F)C(F)(C(F)(F)F)C(C1=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)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16F30/c17-5(18)1(3(9(23,24)25,10(26,27)28)7(21,13(35,36)37)14(38,39)40)2(6(5,19)20)4(11(29,30)31,12(32,33)34)8(22,15(41,42)43)16(44,45)46
InChIKeyUIGCAEILZDWXAV-UHFFFAOYSA-N
MW762.12 g/mol
LogP10.45
Rot. Bonds4

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

3,3,4,4-tetrafluoro-1,2-bis[1,1,1,3,4,4,4-heptafluoro-2,3-bis(trifluoromethyl)butan-2-yl]cyclobutene (PubChem CID 175078772) has the molecular formula C16F30 and a molecular weight of 762.12 g/mol. Its IUPAC name is 3,3,4,4-tetrafluoro-1,2-bis[1,1,1,3,4,4,4-heptafluoro-2,3-bis(trifluoromethyl)butan-2-yl]cyclobutene.

Molecular Properties

Compound Name3,3,4,4-tetrafluoro-1,2-bis[1,1,1,3,4,4,4-heptafluoro-2,3-bis(trifluoromethyl)butan-2-yl]cyclobutene
PubChem CID175078772
Molecular FormulaC16F30
Molecular Weight762.12 g/mol
Exact Mass761.95
IUPAC Name3,3,4,4-tetrafluoro-1,2-bis[1,1,1,3,4,4,4-heptafluoro-2,3-bis(trifluoromethyl)butan-2-yl]cyclobutene
SMILESFC(F)(F)C(F)(C(F)(F)F)C(C1=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)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16F30/c17-5(18)1(3(9(23,24)25,10(26,27)28)7(21,13(35,36)37)14(38,39)40)2(6(5,19)20)4(11(29,30)31,12(32,33)34)8(22,15(41,42)43)16(44,45)46
InChIKeyUIGCAEILZDWXAV-UHFFFAOYSA-N
XLogP10.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.12
LogP ≤ 510.45
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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Frequently Asked Questions

What is the IUPAC name of 3,3,4,4-tetrafluoro-1,2-bis[1,1,1,3,4,4,4-heptafluoro-2,3-bis(trifluoromethyl)butan-2-yl]cyclobutene?
The IUPAC name of 3,3,4,4-tetrafluoro-1,2-bis[1,1,1,3,4,4,4-heptafluoro-2,3-bis(trifluoromethyl)butan-2-yl]cyclobutene (CID 175078772) is 3,3,4,4-tetrafluoro-1,2-bis[1,1,1,3,4,4,4-heptafluoro-2,3-bis(trifluoromethyl)butan-2-yl]cyclobutene.
What is the SMILES notation for 3,3,4,4-tetrafluoro-1,2-bis[1,1,1,3,4,4,4-heptafluoro-2,3-bis(trifluoromethyl)butan-2-yl]cyclobutene?
The canonical SMILES for 3,3,4,4-tetrafluoro-1,2-bis[1,1,1,3,4,4,4-heptafluoro-2,3-bis(trifluoromethyl)butan-2-yl]cyclobutene is FC(F)(F)C(F)(C(F)(F)F)C(C1=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)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,4,4-tetrafluoro-1,2-bis[1,1,1,3,4,4,4-heptafluoro-2,3-bis(trifluoromethyl)butan-2-yl]cyclobutene?
The InChIKey is UIGCAEILZDWXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16F30/c17-5(18)1(3(9(23,24)25,10(26,27)28)7(21,13(35,36)37)14(38,39)40)2(6(5,19)20)4(11(29,30)31,12(32,33)34)8(22,15(41,42)43)16(44,45)46.
What are the key properties of 3,3,4,4-tetrafluoro-1,2-bis[1,1,1,3,4,4,4-heptafluoro-2,3-bis(trifluoromethyl)butan-2-yl]cyclobutene?
3,3,4,4-tetrafluoro-1,2-bis[1,1,1,3,4,4,4-heptafluoro-2,3-bis(trifluoromethyl)butan-2-yl]cyclobutene has a molecular weight of 762.12 g/mol, XLogP of 10.45, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4-tetrafluoro-1,2-bis[1,1,1,3,4,4,4-heptafluoro-2,3-bis(trifluoromethyl)butan-2-yl]cyclobutene is sourced from PubChem (CID 175078772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).