1-(1-difluoroboranyloxynaphthalen-2-yl)ethanone

C12H9BF2O2 — CID 613064

IUPAC1-(1-difluoroboranyloxynaphthalen-2-yl)ethanone
SMILESCC(=O)c1ccc2ccccc2c1OB(F)F
InChIInChI=1S/C12H9BF2O2/c1-8(16)10-7-6-9-4-2-3-5-11(9)12(10)17-13(14)15/h2-7H,1H3
InChIKeyJLTGHBQFYCGQJZ-UHFFFAOYSA-N
MW234.01 g/mol
LogP3.35
Rot. Bonds3

About 1-(1-difluoroboranyloxynaphthalen-2-yl)ethanone

1-(1-difluoroboranyloxynaphthalen-2-yl)ethanone (PubChem CID 613064) has the molecular formula C12H9BF2O2 and a molecular weight of 234.01 g/mol. Its IUPAC name is 1-(1-difluoroboranyloxynaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name1-(1-difluoroboranyloxynaphthalen-2-yl)ethanone
PubChem CID613064
Molecular FormulaC12H9BF2O2
Molecular Weight234.01 g/mol
Exact Mass234.07
IUPAC Name1-(1-difluoroboranyloxynaphthalen-2-yl)ethanone
SMILESCC(=O)c1ccc2ccccc2c1OB(F)F
InChIInChI=1S/C12H9BF2O2/c1-8(16)10-7-6-9-4-2-3-5-11(9)12(10)17-13(14)15/h2-7H,1H3
InChIKeyJLTGHBQFYCGQJZ-UHFFFAOYSA-N
XLogP3.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.01
LogP ≤ 53.35
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

1-[1-(2-methylpropoxy)naphthalen-2-yl]ethanone
CID 43388547
1-[1-(1-phenylethoxy)naphthalen-2-yl]ethanone
CID 143253129
1-[1-(2-chloroprop-2-enoxy)naphthalen-2-yl]ethanone
CID 43388554
1-[1-(4-bromobutoxy)naphthalen-2-yl]ethanone
CID 43475231
1-(1-but-2-ynoxynaphthalen-2-yl)ethanone
CID 62312338
1-(1-hexoxynaphthalen-2-yl)ethanone
CID 43474263
1-[1-[(E)-but-2-enoxy]naphthalen-2-yl]ethanone
CID 43474269
1-(1-hydroxynaphthalen-2-yl)ethanone;vanadium
CID 174557605
3-(4-butoxyphenyl)-1-(1-difluoroboranyloxynaphthalen-2-yl)prop-2-en-1-one
CID 4247497
2-(2-acetylnaphthalen-1-yl)oxypropanenitrile
CID 54941657
1-(1-hydroxynaphthalen-2-yl)ethanone;vanadium;trichloride
CID 174494917
1-[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]ethanone
CID 143253149

Frequently Asked Questions

What is the IUPAC name of 1-(1-difluoroboranyloxynaphthalen-2-yl)ethanone?
The IUPAC name of 1-(1-difluoroboranyloxynaphthalen-2-yl)ethanone (CID 613064) is 1-(1-difluoroboranyloxynaphthalen-2-yl)ethanone.
What is the SMILES notation for 1-(1-difluoroboranyloxynaphthalen-2-yl)ethanone?
The canonical SMILES for 1-(1-difluoroboranyloxynaphthalen-2-yl)ethanone is CC(=O)c1ccc2ccccc2c1OB(F)F.
What is the InChIKey of 1-(1-difluoroboranyloxynaphthalen-2-yl)ethanone?
The InChIKey is JLTGHBQFYCGQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BF2O2/c1-8(16)10-7-6-9-4-2-3-5-11(9)12(10)17-13(14)15/h2-7H,1H3.
What are the key properties of 1-(1-difluoroboranyloxynaphthalen-2-yl)ethanone?
1-(1-difluoroboranyloxynaphthalen-2-yl)ethanone has a molecular weight of 234.01 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-difluoroboranyloxynaphthalen-2-yl)ethanone is sourced from PubChem (CID 613064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).