2-[bis(2,3,4,5,6-pentafluorophenyl)methyl]-1,3,4,5,6,7,8-heptafluoronaphthalene

C23HF17 — CID 23271999

IUPAC2-[bis(2,3,4,5,6-pentafluorophenyl)methyl]-1,3,4,5,6,7,8-heptafluoronaphthalene
SMILESFc1c(F)c(F)c(C(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c3c(F)c(F)c(F)c(F)c3c2F)c(F)c1F
InChIInChI=1S/C23HF17/c24-7-2(8(25)9(26)6-5(7)14(31)16(33)17(34)15(6)32)1(3-10(27)18(35)22(39)19(36)11(3)28)4-12(29)20(37)23(40)21(38)13(4)30/h1H
InChIKeyRDVLYDBMXGVEPN-UHFFFAOYSA-N
MW600.23 g/mol
LogP8.38
Rot. Bonds3

About 2-[bis(2,3,4,5,6-pentafluorophenyl)methyl]-1,3,4,5,6,7,8-heptafluoronaphthalene

2-[bis(2,3,4,5,6-pentafluorophenyl)methyl]-1,3,4,5,6,7,8-heptafluoronaphthalene (PubChem CID 23271999) has the molecular formula C23HF17 and a molecular weight of 600.23 g/mol. Its IUPAC name is 2-[bis(2,3,4,5,6-pentafluorophenyl)methyl]-1,3,4,5,6,7,8-heptafluoronaphthalene.

Molecular Properties

Compound Name2-[bis(2,3,4,5,6-pentafluorophenyl)methyl]-1,3,4,5,6,7,8-heptafluoronaphthalene
PubChem CID23271999
Molecular FormulaC23HF17
Molecular Weight600.23 g/mol
Exact Mass599.98
IUPAC Name2-[bis(2,3,4,5,6-pentafluorophenyl)methyl]-1,3,4,5,6,7,8-heptafluoronaphthalene
SMILESFc1c(F)c(F)c(C(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c3c(F)c(F)c(F)c(F)c3c2F)c(F)c1F
InChIInChI=1S/C23HF17/c24-7-2(8(25)9(26)6-5(7)14(31)16(33)17(34)15(6)32)1(3-10(27)18(35)22(39)19(36)11(3)28)4-12(29)20(37)23(40)21(38)13(4)30/h1H
InChIKeyRDVLYDBMXGVEPN-UHFFFAOYSA-N
XLogP8.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.23
LogP ≤ 58.38
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': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2,3,4,5,6-pentafluorophenyl)methyl]-1,3,4,5,6,7,8-heptafluoronaphthalene?
The IUPAC name of 2-[bis(2,3,4,5,6-pentafluorophenyl)methyl]-1,3,4,5,6,7,8-heptafluoronaphthalene (CID 23271999) is 2-[bis(2,3,4,5,6-pentafluorophenyl)methyl]-1,3,4,5,6,7,8-heptafluoronaphthalene.
What is the SMILES notation for 2-[bis(2,3,4,5,6-pentafluorophenyl)methyl]-1,3,4,5,6,7,8-heptafluoronaphthalene?
The canonical SMILES for 2-[bis(2,3,4,5,6-pentafluorophenyl)methyl]-1,3,4,5,6,7,8-heptafluoronaphthalene is Fc1c(F)c(F)c(C(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c3c(F)c(F)c(F)c(F)c3c2F)c(F)c1F.
What is the InChIKey of 2-[bis(2,3,4,5,6-pentafluorophenyl)methyl]-1,3,4,5,6,7,8-heptafluoronaphthalene?
The InChIKey is RDVLYDBMXGVEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23HF17/c24-7-2(8(25)9(26)6-5(7)14(31)16(33)17(34)15(6)32)1(3-10(27)18(35)22(39)19(36)11(3)28)4-12(29)20(37)23(40)21(38)13(4)30/h1H.
What are the key properties of 2-[bis(2,3,4,5,6-pentafluorophenyl)methyl]-1,3,4,5,6,7,8-heptafluoronaphthalene?
2-[bis(2,3,4,5,6-pentafluorophenyl)methyl]-1,3,4,5,6,7,8-heptafluoronaphthalene has a molecular weight of 600.23 g/mol, XLogP of 8.38, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2,3,4,5,6-pentafluorophenyl)methyl]-1,3,4,5,6,7,8-heptafluoronaphthalene is sourced from PubChem (CID 23271999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).