(2,6-difluorophenyl)-bis(2,4,6-trifluorophenyl)borane

C18H7BF8 — CID 174149978

IUPAC(2,6-difluorophenyl)-bis(2,4,6-trifluorophenyl)borane
SMILESFc1cc(F)c(B(c2c(F)cccc2F)c2c(F)cc(F)cc2F)c(F)c1
InChIInChI=1S/C18H7BF8/c20-8-4-12(24)17(13(25)5-8)19(16-10(22)2-1-3-11(16)23)18-14(26)6-9(21)7-15(18)27/h1-7H
InChIKeyGDZYYHIFDFAIFN-UHFFFAOYSA-N
MW386.05 g/mol
LogP3.32
Rot. Bonds3

About (2,6-difluorophenyl)-bis(2,4,6-trifluorophenyl)borane

(2,6-difluorophenyl)-bis(2,4,6-trifluorophenyl)borane (PubChem CID 174149978) has the molecular formula C18H7BF8 and a molecular weight of 386.05 g/mol. Its IUPAC name is (2,6-difluorophenyl)-bis(2,4,6-trifluorophenyl)borane.

Molecular Properties

Compound Name(2,6-difluorophenyl)-bis(2,4,6-trifluorophenyl)borane
PubChem CID174149978
Molecular FormulaC18H7BF8
Molecular Weight386.05 g/mol
Exact Mass386.05
IUPAC Name(2,6-difluorophenyl)-bis(2,4,6-trifluorophenyl)borane
SMILESFc1cc(F)c(B(c2c(F)cccc2F)c2c(F)cc(F)cc2F)c(F)c1
InChIInChI=1S/C18H7BF8/c20-8-4-12(24)17(13(25)5-8)19(16-10(22)2-1-3-11(16)23)18-14(26)6-9(21)7-15(18)27/h1-7H
InChIKeyGDZYYHIFDFAIFN-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.05
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-bis(2,4,6-trifluorophenyl)borane?
The IUPAC name of (2,6-difluorophenyl)-bis(2,4,6-trifluorophenyl)borane (CID 174149978) is (2,6-difluorophenyl)-bis(2,4,6-trifluorophenyl)borane.
What is the SMILES notation for (2,6-difluorophenyl)-bis(2,4,6-trifluorophenyl)borane?
The canonical SMILES for (2,6-difluorophenyl)-bis(2,4,6-trifluorophenyl)borane is Fc1cc(F)c(B(c2c(F)cccc2F)c2c(F)cc(F)cc2F)c(F)c1.
What is the InChIKey of (2,6-difluorophenyl)-bis(2,4,6-trifluorophenyl)borane?
The InChIKey is GDZYYHIFDFAIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H7BF8/c20-8-4-12(24)17(13(25)5-8)19(16-10(22)2-1-3-11(16)23)18-14(26)6-9(21)7-15(18)27/h1-7H.
What are the key properties of (2,6-difluorophenyl)-bis(2,4,6-trifluorophenyl)borane?
(2,6-difluorophenyl)-bis(2,4,6-trifluorophenyl)borane has a molecular weight of 386.05 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-bis(2,4,6-trifluorophenyl)borane is sourced from PubChem (CID 174149978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).