1,2,3,4,5,6,8-heptafluoro-7-(2,3,5,6-tetrafluoro-4-methylphenyl)naphthalene

C17H3F11 — CID 59709551

IUPAC1,2,3,4,5,6,8-heptafluoro-7-(2,3,5,6-tetrafluoro-4-methylphenyl)naphthalene
SMILESCc1c(F)c(F)c(-c2c(F)c(F)c3c(F)c(F)c(F)c(F)c3c2F)c(F)c1F
InChIInChI=1S/C17H3F11/c1-2-7(18)10(21)5(11(22)8(2)19)3-9(20)4-6(13(24)12(3)23)15(26)17(28)16(27)14(4)25/h1H3
InChIKeyWRKOAXDWOWOZBR-UHFFFAOYSA-N
MW416.19 g/mol
LogP6.35
Rot. Bonds1

About 1,2,3,4,5,6,8-heptafluoro-7-(2,3,5,6-tetrafluoro-4-methylphenyl)naphthalene

1,2,3,4,5,6,8-heptafluoro-7-(2,3,5,6-tetrafluoro-4-methylphenyl)naphthalene (PubChem CID 59709551) has the molecular formula C17H3F11 and a molecular weight of 416.19 g/mol. Its IUPAC name is 1,2,3,4,5,6,8-heptafluoro-7-(2,3,5,6-tetrafluoro-4-methylphenyl)naphthalene.

Molecular Properties

Compound Name1,2,3,4,5,6,8-heptafluoro-7-(2,3,5,6-tetrafluoro-4-methylphenyl)naphthalene
PubChem CID59709551
Molecular FormulaC17H3F11
Molecular Weight416.19 g/mol
Exact Mass416.01
IUPAC Name1,2,3,4,5,6,8-heptafluoro-7-(2,3,5,6-tetrafluoro-4-methylphenyl)naphthalene
SMILESCc1c(F)c(F)c(-c2c(F)c(F)c3c(F)c(F)c(F)c(F)c3c2F)c(F)c1F
InChIInChI=1S/C17H3F11/c1-2-7(18)10(21)5(11(22)8(2)19)3-9(20)4-6(13(24)12(3)23)15(26)17(28)16(27)14(4)25/h1H3
InChIKeyWRKOAXDWOWOZBR-UHFFFAOYSA-N
XLogP6.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.19
LogP ≤ 56.35
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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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,8-heptafluoro-7-(2,3,5,6-tetrafluoro-4-methylphenyl)naphthalene?
The IUPAC name of 1,2,3,4,5,6,8-heptafluoro-7-(2,3,5,6-tetrafluoro-4-methylphenyl)naphthalene (CID 59709551) is 1,2,3,4,5,6,8-heptafluoro-7-(2,3,5,6-tetrafluoro-4-methylphenyl)naphthalene.
What is the SMILES notation for 1,2,3,4,5,6,8-heptafluoro-7-(2,3,5,6-tetrafluoro-4-methylphenyl)naphthalene?
The canonical SMILES for 1,2,3,4,5,6,8-heptafluoro-7-(2,3,5,6-tetrafluoro-4-methylphenyl)naphthalene is Cc1c(F)c(F)c(-c2c(F)c(F)c3c(F)c(F)c(F)c(F)c3c2F)c(F)c1F.
What is the InChIKey of 1,2,3,4,5,6,8-heptafluoro-7-(2,3,5,6-tetrafluoro-4-methylphenyl)naphthalene?
The InChIKey is WRKOAXDWOWOZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H3F11/c1-2-7(18)10(21)5(11(22)8(2)19)3-9(20)4-6(13(24)12(3)23)15(26)17(28)16(27)14(4)25/h1H3.
What are the key properties of 1,2,3,4,5,6,8-heptafluoro-7-(2,3,5,6-tetrafluoro-4-methylphenyl)naphthalene?
1,2,3,4,5,6,8-heptafluoro-7-(2,3,5,6-tetrafluoro-4-methylphenyl)naphthalene has a molecular weight of 416.19 g/mol, XLogP of 6.35, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,8-heptafluoro-7-(2,3,5,6-tetrafluoro-4-methylphenyl)naphthalene is sourced from PubChem (CID 59709551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).