2-bromo-2,2-difluoro-1-naphthalen-2-ylethanone

C12H7BrF2O — CID 56655281

IUPAC2-bromo-2,2-difluoro-1-naphthalen-2-ylethanone
SMILESO=C(c1ccc2ccccc2c1)C(F)(F)Br
InChIInChI=1S/C12H7BrF2O/c13-12(14,15)11(16)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKeyMACBFJMVPMXOQN-UHFFFAOYSA-N
MW285.09 g/mol
LogP4.01
Rot. Bonds2

About 2-bromo-2,2-difluoro-1-naphthalen-2-ylethanone

2-bromo-2,2-difluoro-1-naphthalen-2-ylethanone (PubChem CID 56655281) has the molecular formula C12H7BrF2O and a molecular weight of 285.09 g/mol. Its IUPAC name is 2-bromo-2,2-difluoro-1-naphthalen-2-ylethanone.

Molecular Properties

Compound Name2-bromo-2,2-difluoro-1-naphthalen-2-ylethanone
PubChem CID56655281
Molecular FormulaC12H7BrF2O
Molecular Weight285.09 g/mol
Exact Mass283.96
IUPAC Name2-bromo-2,2-difluoro-1-naphthalen-2-ylethanone
SMILESO=C(c1ccc2ccccc2c1)C(F)(F)Br
InChIInChI=1S/C12H7BrF2O/c13-12(14,15)11(16)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKeyMACBFJMVPMXOQN-UHFFFAOYSA-N
XLogP4.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.09
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

naphthalene-2-carboxylic acid
CID 175967775
naphthalene-2-carboxylic acid;dihydrochloride
CID 70357946
1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
CID 10939145
dinaphthalen-2-ylmethanone
CID 10945915
formaldehyde;naphthalene-2-carboxylic acid
CID 86738660
hexacene-2-carboxylic acid
CID 87430666
naphthalen-2-yl(phenyl)(113C)methanone
CID 101359138
potassium naphthalene-2-carboxylate
CID 23664129
1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
mercury(2+);bis(naphthalene-2-carboxylate)
CID 22604304
bis(naphthalene-2-carboxylate);nickel(2+)
CID 14647680
2-(diethylamino)-2-methyl-1-naphthalen-2-ylpropan-1-one
CID 79053945

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2,2-difluoro-1-naphthalen-2-ylethanone?
The IUPAC name of 2-bromo-2,2-difluoro-1-naphthalen-2-ylethanone (CID 56655281) is 2-bromo-2,2-difluoro-1-naphthalen-2-ylethanone.
What is the SMILES notation for 2-bromo-2,2-difluoro-1-naphthalen-2-ylethanone?
The canonical SMILES for 2-bromo-2,2-difluoro-1-naphthalen-2-ylethanone is O=C(c1ccc2ccccc2c1)C(F)(F)Br.
What is the InChIKey of 2-bromo-2,2-difluoro-1-naphthalen-2-ylethanone?
The InChIKey is MACBFJMVPMXOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF2O/c13-12(14,15)11(16)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H.
What are the key properties of 2-bromo-2,2-difluoro-1-naphthalen-2-ylethanone?
2-bromo-2,2-difluoro-1-naphthalen-2-ylethanone has a molecular weight of 285.09 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2,2-difluoro-1-naphthalen-2-ylethanone is sourced from PubChem (CID 56655281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).