fluoro-bis(2,3,4-trimethylphenyl)borane

C18H22BF — CID 141308101

IUPACfluoro-bis(2,3,4-trimethylphenyl)borane
SMILESCc1ccc(B(F)c2ccc(C)c(C)c2C)c(C)c1C
InChIInChI=1S/C18H22BF/c1-11-7-9-17(15(5)13(11)3)19(20)18-10-8-12(2)14(4)16(18)6/h7-10H,1-6H3
InChIKeyDWGRAWXTWKMPOT-UHFFFAOYSA-N
MW268.18 g/mol
LogP3.61
Rot. Bonds2

About fluoro-bis(2,3,4-trimethylphenyl)borane

fluoro-bis(2,3,4-trimethylphenyl)borane (PubChem CID 141308101) has the molecular formula C18H22BF and a molecular weight of 268.18 g/mol. Its IUPAC name is fluoro-bis(2,3,4-trimethylphenyl)borane.

Molecular Properties

Compound Namefluoro-bis(2,3,4-trimethylphenyl)borane
PubChem CID141308101
Molecular FormulaC18H22BF
Molecular Weight268.18 g/mol
Exact Mass268.18
IUPAC Namefluoro-bis(2,3,4-trimethylphenyl)borane
SMILESCc1ccc(B(F)c2ccc(C)c(C)c2C)c(C)c1C
InChIInChI=1S/C18H22BF/c1-11-7-9-17(15(5)13(11)3)19(20)18-10-8-12(2)14(4)16(18)6/h7-10H,1-6H3
InChIKeyDWGRAWXTWKMPOT-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.18
LogP ≤ 53.61
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 fluoro-bis(2,3,4-trimethylphenyl)borane?
The IUPAC name of fluoro-bis(2,3,4-trimethylphenyl)borane (CID 141308101) is fluoro-bis(2,3,4-trimethylphenyl)borane.
What is the SMILES notation for fluoro-bis(2,3,4-trimethylphenyl)borane?
The canonical SMILES for fluoro-bis(2,3,4-trimethylphenyl)borane is Cc1ccc(B(F)c2ccc(C)c(C)c2C)c(C)c1C.
What is the InChIKey of fluoro-bis(2,3,4-trimethylphenyl)borane?
The InChIKey is DWGRAWXTWKMPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BF/c1-11-7-9-17(15(5)13(11)3)19(20)18-10-8-12(2)14(4)16(18)6/h7-10H,1-6H3.
What are the key properties of fluoro-bis(2,3,4-trimethylphenyl)borane?
fluoro-bis(2,3,4-trimethylphenyl)borane has a molecular weight of 268.18 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro-bis(2,3,4-trimethylphenyl)borane is sourced from PubChem (CID 141308101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).