1,2,3,4,5,6,7-heptafluoro-8-(3,4,5,6,7,8-hexafluoronaphthalen-1-yl)naphthalene

C20HF13 — CID 71326789

IUPAC1,2,3,4,5,6,7-heptafluoro-8-(3,4,5,6,7,8-hexafluoronaphthalen-1-yl)naphthalene
SMILESFc1cc(-c2c(F)c(F)c(F)c3c(F)c(F)c(F)c(F)c23)c2c(F)c(F)c(F)c(F)c2c1F
InChIInChI=1S/C20HF13/c21-3-1-2(5-7(9(3)22)13(26)19(32)17(30)11(5)24)4-6-8(14(27)16(29)10(4)23)15(28)20(33)18(31)12(6)25/h1H
InChIKeyDEKQJDCYOJVRGE-UHFFFAOYSA-N
MW488.20 g/mol
LogP7.47
Rot. Bonds1

About 1,2,3,4,5,6,7-heptafluoro-8-(3,4,5,6,7,8-hexafluoronaphthalen-1-yl)naphthalene

1,2,3,4,5,6,7-heptafluoro-8-(3,4,5,6,7,8-hexafluoronaphthalen-1-yl)naphthalene (PubChem CID 71326789) has the molecular formula C20HF13 and a molecular weight of 488.20 g/mol. Its IUPAC name is 1,2,3,4,5,6,7-heptafluoro-8-(3,4,5,6,7,8-hexafluoronaphthalen-1-yl)naphthalene.

Molecular Properties

Compound Name1,2,3,4,5,6,7-heptafluoro-8-(3,4,5,6,7,8-hexafluoronaphthalen-1-yl)naphthalene
PubChem CID71326789
Molecular FormulaC20HF13
Molecular Weight488.20 g/mol
Exact Mass487.99
IUPAC Name1,2,3,4,5,6,7-heptafluoro-8-(3,4,5,6,7,8-hexafluoronaphthalen-1-yl)naphthalene
SMILESFc1cc(-c2c(F)c(F)c(F)c3c(F)c(F)c(F)c(F)c23)c2c(F)c(F)c(F)c(F)c2c1F
InChIInChI=1S/C20HF13/c21-3-1-2(5-7(9(3)22)13(26)19(32)17(30)11(5)24)4-6-8(14(27)16(29)10(4)23)15(28)20(33)18(31)12(6)25/h1H
InChIKeyDEKQJDCYOJVRGE-UHFFFAOYSA-N
XLogP7.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.20
LogP ≤ 57.47
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'}

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Related Compounds

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CID 175026996
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ethane;fluoromethane;1,2,3,4,5-pentafluorobenzene
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9-(2,4-difluorophenyl)-1,2,3,4-tetrafluoro-10-(2,3,4,5,6-pentafluorophenyl)anthracene
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CID 172801487
CID 172801487
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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7-heptafluoro-8-(3,4,5,6,7,8-hexafluoronaphthalen-1-yl)naphthalene?
The IUPAC name of 1,2,3,4,5,6,7-heptafluoro-8-(3,4,5,6,7,8-hexafluoronaphthalen-1-yl)naphthalene (CID 71326789) is 1,2,3,4,5,6,7-heptafluoro-8-(3,4,5,6,7,8-hexafluoronaphthalen-1-yl)naphthalene.
What is the SMILES notation for 1,2,3,4,5,6,7-heptafluoro-8-(3,4,5,6,7,8-hexafluoronaphthalen-1-yl)naphthalene?
The canonical SMILES for 1,2,3,4,5,6,7-heptafluoro-8-(3,4,5,6,7,8-hexafluoronaphthalen-1-yl)naphthalene is Fc1cc(-c2c(F)c(F)c(F)c3c(F)c(F)c(F)c(F)c23)c2c(F)c(F)c(F)c(F)c2c1F.
What is the InChIKey of 1,2,3,4,5,6,7-heptafluoro-8-(3,4,5,6,7,8-hexafluoronaphthalen-1-yl)naphthalene?
The InChIKey is DEKQJDCYOJVRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20HF13/c21-3-1-2(5-7(9(3)22)13(26)19(32)17(30)11(5)24)4-6-8(14(27)16(29)10(4)23)15(28)20(33)18(31)12(6)25/h1H.
What are the key properties of 1,2,3,4,5,6,7-heptafluoro-8-(3,4,5,6,7,8-hexafluoronaphthalen-1-yl)naphthalene?
1,2,3,4,5,6,7-heptafluoro-8-(3,4,5,6,7,8-hexafluoronaphthalen-1-yl)naphthalene has a molecular weight of 488.20 g/mol, XLogP of 7.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7-heptafluoro-8-(3,4,5,6,7,8-hexafluoronaphthalen-1-yl)naphthalene is sourced from PubChem (CID 71326789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).