bis(4-fluorophenyl)-(2-pyridin-2-ylethoxy)borane

C19H16BF2NO — CID 10892647

IUPACbis(4-fluorophenyl)-(2-pyridin-2-ylethoxy)borane
SMILESFc1ccc(B(OCCc2ccccn2)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H16BF2NO/c21-17-8-4-15(5-9-17)20(16-6-10-18(22)11-7-16)24-14-12-19-3-1-2-13-23-19/h1-11,13H,12,14H2
InChIKeyGXYSVUOGBMQIOX-UHFFFAOYSA-N
MW323.15 g/mol
LogP2.72
Rot. Bonds6

About bis(4-fluorophenyl)-(2-pyridin-2-ylethoxy)borane

bis(4-fluorophenyl)-(2-pyridin-2-ylethoxy)borane (PubChem CID 10892647) has the molecular formula C19H16BF2NO and a molecular weight of 323.15 g/mol. Its IUPAC name is bis(4-fluorophenyl)-(2-pyridin-2-ylethoxy)borane.

Molecular Properties

Compound Namebis(4-fluorophenyl)-(2-pyridin-2-ylethoxy)borane
PubChem CID10892647
Molecular FormulaC19H16BF2NO
Molecular Weight323.15 g/mol
Exact Mass323.13
IUPAC Namebis(4-fluorophenyl)-(2-pyridin-2-ylethoxy)borane
SMILESFc1ccc(B(OCCc2ccccn2)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H16BF2NO/c21-17-8-4-15(5-9-17)20(16-6-10-18(22)11-7-16)24-14-12-19-3-1-2-13-23-19/h1-11,13H,12,14H2
InChIKeyGXYSVUOGBMQIOX-UHFFFAOYSA-N
XLogP2.72
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.15
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-pyridin-2-ylethoxy-bis[3-(trifluoromethyl)phenyl]borane
CID 10960839
2-[2-(2-fluorophenoxy)ethyl]pyridine
CID 64765449
5-fluoro-2-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
CID 82909517
3-fluoro-5-(2-pyridin-2-ylethoxy)benzonitrile
CID 102817924
3-bromo-5-fluoro-2-(2-pyridin-2-ylethoxy)aniline
CID 60892612
4-(2-pyridin-2-ylethoxy)phenol
CID 60892821
N-[(4-fluorophenyl)methyl]-2-pyridin-2-ylethanamine
CID 13082717
2-(2-fluoroethyl)pyridine
CID 23246235
1-[2-fluoro-6-(2-pyridin-2-ylethoxy)phenyl]ethanone
CID 29006281
2-pyridin-2-ylethyl cyanate
CID 21195134
bis(4-fluorophenyl)boranyloxy-pyridin-2-ylmethanol
CID 69208439
trifluoro-[2-fluoro-4-(2-pyridin-2-ylethoxy)phenyl]boranuide
CID 65203015

Frequently Asked Questions

What is the IUPAC name of bis(4-fluorophenyl)-(2-pyridin-2-ylethoxy)borane?
The IUPAC name of bis(4-fluorophenyl)-(2-pyridin-2-ylethoxy)borane (CID 10892647) is bis(4-fluorophenyl)-(2-pyridin-2-ylethoxy)borane.
What is the SMILES notation for bis(4-fluorophenyl)-(2-pyridin-2-ylethoxy)borane?
The canonical SMILES for bis(4-fluorophenyl)-(2-pyridin-2-ylethoxy)borane is Fc1ccc(B(OCCc2ccccn2)c2ccc(F)cc2)cc1.
What is the InChIKey of bis(4-fluorophenyl)-(2-pyridin-2-ylethoxy)borane?
The InChIKey is GXYSVUOGBMQIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BF2NO/c21-17-8-4-15(5-9-17)20(16-6-10-18(22)11-7-16)24-14-12-19-3-1-2-13-23-19/h1-11,13H,12,14H2.
What are the key properties of bis(4-fluorophenyl)-(2-pyridin-2-ylethoxy)borane?
bis(4-fluorophenyl)-(2-pyridin-2-ylethoxy)borane has a molecular weight of 323.15 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-fluorophenyl)-(2-pyridin-2-ylethoxy)borane is sourced from PubChem (CID 10892647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).