1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluoronaphthalene;1,2,3,4,5,6,7,8-octafluoronaphthalene

C20F26 — CID 158548980

IUPAC1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluoronaphthalene;1,2,3,4,5,6,7,8-octafluoronaphthalene
SMILESFC1(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C1(F)F.Fc1c(F)c(F)c2c(F)c(F)c(F)c(F)c2c1F
InChIInChI=1S/C10F18.C10F8/c11-1-2(12,5(17,18)9(25,26)7(21,22)3(1,13)14)6(19,20)10(27,28)8(23,24)4(1,15)16;11-3-1-2(5(13)9(17)7(3)15)6(14)10(18)8(16)4(1)12
InChIKeyHPMBUJCWUCRPIN-UHFFFAOYSA-N
MW734.17 g/mol
LogP9.47
Rot. Bonds

About 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluoronaphthalene;1,2,3,4,5,6,7,8-octafluoronaphthalene

1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluoronaphthalene;1,2,3,4,5,6,7,8-octafluoronaphthalene (PubChem CID 158548980) has the molecular formula C20F26 and a molecular weight of 734.17 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluoronaphthalene;1,2,3,4,5,6,7,8-octafluoronaphthalene.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluoronaphthalene;1,2,3,4,5,6,7,8-octafluoronaphthalene
PubChem CID158548980
Molecular FormulaC20F26
Molecular Weight734.17 g/mol
Exact Mass733.96
IUPAC Name1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluoronaphthalene;1,2,3,4,5,6,7,8-octafluoronaphthalene
SMILESFC1(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C1(F)F.Fc1c(F)c(F)c2c(F)c(F)c(F)c(F)c2c1F
InChIInChI=1S/C10F18.C10F8/c11-1-2(12,5(17,18)9(25,26)7(21,22)3(1,13)14)6(19,20)10(27,28)8(23,24)4(1,15)16;11-3-1-2(5(13)9(17)7(3)15)6(14)10(18)8(16)4(1)12
InChIKeyHPMBUJCWUCRPIN-UHFFFAOYSA-N
XLogP9.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.17
LogP ≤ 59.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluoronaphthalene;1,2,3,4,5,6,7,8-octafluoronaphthalene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluoronaphthalene;1,2,3,4,5,6,7,8-octafluoronaphthalene?
The IUPAC name of 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluoronaphthalene;1,2,3,4,5,6,7,8-octafluoronaphthalene (CID 158548980) is 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluoronaphthalene;1,2,3,4,5,6,7,8-octafluoronaphthalene.
What is the SMILES notation for 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluoronaphthalene;1,2,3,4,5,6,7,8-octafluoronaphthalene?
The canonical SMILES for 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluoronaphthalene;1,2,3,4,5,6,7,8-octafluoronaphthalene is FC1(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C1(F)F.Fc1c(F)c(F)c2c(F)c(F)c(F)c(F)c2c1F.
What is the InChIKey of 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluoronaphthalene;1,2,3,4,5,6,7,8-octafluoronaphthalene?
The InChIKey is HPMBUJCWUCRPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F18.C10F8/c11-1-2(12,5(17,18)9(25,26)7(21,22)3(1,13)14)6(19,20)10(27,28)8(23,24)4(1,15)16;11-3-1-2(5(13)9(17)7(3)15)6(14)10(18)8(16)4(1)12.
What are the key properties of 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluoronaphthalene;1,2,3,4,5,6,7,8-octafluoronaphthalene?
1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluoronaphthalene;1,2,3,4,5,6,7,8-octafluoronaphthalene has a molecular weight of 734.17 g/mol, XLogP of 9.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluoronaphthalene;1,2,3,4,5,6,7,8-octafluoronaphthalene is sourced from PubChem (CID 158548980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).