[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-(4,5,7-trifluoronaphthalen-1-yl)-[2-(2,3,5-trifluorophenyl)phenyl]borane

C34H10BF15 — CID 141042706

IUPAC[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-(4,5,7-trifluoronaphthalen-1-yl)-[2-(2,3,5-trifluorophenyl)phenyl]borane
SMILESFc1cc(F)c(F)c(-c2ccccc2B(c2c(F)c(F)c(F)c(F)c2-c2c(F)c(F)c(F)c(F)c2F)c2ccc(F)c3c(F)cc(F)cc23)c1
InChIInChI=1S/C34H10BF15/c36-11-7-14(25(41)20(40)10-11)13-3-1-2-4-16(13)35(17-5-6-18(38)21-15(17)8-12(37)9-19(21)39)24-22(26(42)30(46)33(49)29(24)45)23-27(43)31(47)34(50)32(48)28(23)44/h1-10H
InChIKeyLMRUBZINVUZCRC-UHFFFAOYSA-N
MW714.24 g/mol
LogP8.78
Rot. Bonds5

About [2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-(4,5,7-trifluoronaphthalen-1-yl)-[2-(2,3,5-trifluorophenyl)phenyl]borane

[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-(4,5,7-trifluoronaphthalen-1-yl)-[2-(2,3,5-trifluorophenyl)phenyl]borane (PubChem CID 141042706) has the molecular formula C34H10BF15 and a molecular weight of 714.24 g/mol. Its IUPAC name is [2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-(4,5,7-trifluoronaphthalen-1-yl)-[2-(2,3,5-trifluorophenyl)phenyl]borane.

Molecular Properties

Compound Name[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-(4,5,7-trifluoronaphthalen-1-yl)-[2-(2,3,5-trifluorophenyl)phenyl]borane
PubChem CID141042706
Molecular FormulaC34H10BF15
Molecular Weight714.24 g/mol
Exact Mass714.06
IUPAC Name[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-(4,5,7-trifluoronaphthalen-1-yl)-[2-(2,3,5-trifluorophenyl)phenyl]borane
SMILESFc1cc(F)c(F)c(-c2ccccc2B(c2c(F)c(F)c(F)c(F)c2-c2c(F)c(F)c(F)c(F)c2F)c2ccc(F)c3c(F)cc(F)cc23)c1
InChIInChI=1S/C34H10BF15/c36-11-7-14(25(41)20(40)10-11)13-3-1-2-4-16(13)35(17-5-6-18(38)21-15(17)8-12(37)9-19(21)39)24-22(26(42)30(46)33(49)29(24)45)23-27(43)31(47)34(50)32(48)28(23)44/h1-10H
InChIKeyLMRUBZINVUZCRC-UHFFFAOYSA-N
XLogP8.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.24
LogP ≤ 58.78
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': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-(4,5,7-trifluoronaphthalen-1-yl)-[2-(2,3,5-trifluorophenyl)phenyl]borane?
The IUPAC name of [2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-(4,5,7-trifluoronaphthalen-1-yl)-[2-(2,3,5-trifluorophenyl)phenyl]borane (CID 141042706) is [2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-(4,5,7-trifluoronaphthalen-1-yl)-[2-(2,3,5-trifluorophenyl)phenyl]borane.
What is the SMILES notation for [2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-(4,5,7-trifluoronaphthalen-1-yl)-[2-(2,3,5-trifluorophenyl)phenyl]borane?
The canonical SMILES for [2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-(4,5,7-trifluoronaphthalen-1-yl)-[2-(2,3,5-trifluorophenyl)phenyl]borane is Fc1cc(F)c(F)c(-c2ccccc2B(c2c(F)c(F)c(F)c(F)c2-c2c(F)c(F)c(F)c(F)c2F)c2ccc(F)c3c(F)cc(F)cc23)c1.
What is the InChIKey of [2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-(4,5,7-trifluoronaphthalen-1-yl)-[2-(2,3,5-trifluorophenyl)phenyl]borane?
The InChIKey is LMRUBZINVUZCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H10BF15/c36-11-7-14(25(41)20(40)10-11)13-3-1-2-4-16(13)35(17-5-6-18(38)21-15(17)8-12(37)9-19(21)39)24-22(26(42)30(46)33(49)29(24)45)23-27(43)31(47)34(50)32(48)28(23)44/h1-10H.
What are the key properties of [2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-(4,5,7-trifluoronaphthalen-1-yl)-[2-(2,3,5-trifluorophenyl)phenyl]borane?
[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-(4,5,7-trifluoronaphthalen-1-yl)-[2-(2,3,5-trifluorophenyl)phenyl]borane has a molecular weight of 714.24 g/mol, XLogP of 8.78, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-(4,5,7-trifluoronaphthalen-1-yl)-[2-(2,3,5-trifluorophenyl)phenyl]borane is sourced from PubChem (CID 141042706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).