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

C18F34 — CID 155681371

IUPAC3,3,4,4-tetrafluoro-1,2-bis[1,1,1,2,2,4,5,5,5-nonafluoro-3,4-bis(trifluoromethyl)pentan-3-yl]cyclobutene
SMILESFC(F)(F)C(F)(F)C(C1=C(C(C(F)(F)F)(C(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)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C18F34/c19-5(20)1(3(11(29,30)31,9(25,26)17(47,48)49)7(23,13(35,36)37)14(38,39)40)2(6(5,21)22)4(12(32,33)34,10(27,28)18(50,51)52)8(24,15(41,42)43)16(44,45)46
InChIKeyMZNVRYRWYMZSDT-UHFFFAOYSA-N
MW862.13 g/mol
LogP11.73
Rot. Bonds6

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

3,3,4,4-tetrafluoro-1,2-bis[1,1,1,2,2,4,5,5,5-nonafluoro-3,4-bis(trifluoromethyl)pentan-3-yl]cyclobutene (PubChem CID 155681371) has the molecular formula C18F34 and a molecular weight of 862.13 g/mol. Its IUPAC name is 3,3,4,4-tetrafluoro-1,2-bis[1,1,1,2,2,4,5,5,5-nonafluoro-3,4-bis(trifluoromethyl)pentan-3-yl]cyclobutene.

Molecular Properties

Compound Name3,3,4,4-tetrafluoro-1,2-bis[1,1,1,2,2,4,5,5,5-nonafluoro-3,4-bis(trifluoromethyl)pentan-3-yl]cyclobutene
PubChem CID155681371
Molecular FormulaC18F34
Molecular Weight862.13 g/mol
Exact Mass861.95
IUPAC Name3,3,4,4-tetrafluoro-1,2-bis[1,1,1,2,2,4,5,5,5-nonafluoro-3,4-bis(trifluoromethyl)pentan-3-yl]cyclobutene
SMILESFC(F)(F)C(F)(F)C(C1=C(C(C(F)(F)F)(C(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)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C18F34/c19-5(20)1(3(11(29,30)31,9(25,26)17(47,48)49)7(23,13(35,36)37)14(38,39)40)2(6(5,21)22)4(12(32,33)34,10(27,28)18(50,51)52)8(24,15(41,42)43)16(44,45)46
InChIKeyMZNVRYRWYMZSDT-UHFFFAOYSA-N
XLogP11.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500862.13
LogP ≤ 511.73
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[1,1,1,2,2,4,5,5,5-nonafluoro-3,4-bis(trifluoromethyl)pentan-3-yl]cyclobutene?
The IUPAC name of 3,3,4,4-tetrafluoro-1,2-bis[1,1,1,2,2,4,5,5,5-nonafluoro-3,4-bis(trifluoromethyl)pentan-3-yl]cyclobutene (CID 155681371) is 3,3,4,4-tetrafluoro-1,2-bis[1,1,1,2,2,4,5,5,5-nonafluoro-3,4-bis(trifluoromethyl)pentan-3-yl]cyclobutene.
What is the SMILES notation for 3,3,4,4-tetrafluoro-1,2-bis[1,1,1,2,2,4,5,5,5-nonafluoro-3,4-bis(trifluoromethyl)pentan-3-yl]cyclobutene?
The canonical SMILES for 3,3,4,4-tetrafluoro-1,2-bis[1,1,1,2,2,4,5,5,5-nonafluoro-3,4-bis(trifluoromethyl)pentan-3-yl]cyclobutene is FC(F)(F)C(F)(F)C(C1=C(C(C(F)(F)F)(C(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)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,4,4-tetrafluoro-1,2-bis[1,1,1,2,2,4,5,5,5-nonafluoro-3,4-bis(trifluoromethyl)pentan-3-yl]cyclobutene?
The InChIKey is MZNVRYRWYMZSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18F34/c19-5(20)1(3(11(29,30)31,9(25,26)17(47,48)49)7(23,13(35,36)37)14(38,39)40)2(6(5,21)22)4(12(32,33)34,10(27,28)18(50,51)52)8(24,15(41,42)43)16(44,45)46.
What are the key properties of 3,3,4,4-tetrafluoro-1,2-bis[1,1,1,2,2,4,5,5,5-nonafluoro-3,4-bis(trifluoromethyl)pentan-3-yl]cyclobutene?
3,3,4,4-tetrafluoro-1,2-bis[1,1,1,2,2,4,5,5,5-nonafluoro-3,4-bis(trifluoromethyl)pentan-3-yl]cyclobutene has a molecular weight of 862.13 g/mol, XLogP of 11.73, 6 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[1,1,1,2,2,4,5,5,5-nonafluoro-3,4-bis(trifluoromethyl)pentan-3-yl]cyclobutene is sourced from PubChem (CID 155681371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).