1-(4-bromophenyl)-2-fluoroethanone

C8H6BrFO — CID 10036278

IUPAC1-(4-bromophenyl)-2-fluoroethanone
SMILESO=C(CF)c1ccc(Br)cc1
InChIInChI=1S/C8H6BrFO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4H,5H2
InChIKeyPATCUTBZBAERHM-UHFFFAOYSA-N
MW217.04 g/mol
LogP2.60
Rot. Bonds2

About 1-(4-bromophenyl)-2-fluoroethanone

1-(4-bromophenyl)-2-fluoroethanone (PubChem CID 10036278) has the molecular formula C8H6BrFO and a molecular weight of 217.04 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-fluoroethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-fluoroethanone
PubChem CID10036278
Molecular FormulaC8H6BrFO
Molecular Weight217.04 g/mol
Exact Mass215.96
IUPAC Name1-(4-bromophenyl)-2-fluoroethanone
SMILESO=C(CF)c1ccc(Br)cc1
InChIInChI=1S/C8H6BrFO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4H,5H2
InChIKeyPATCUTBZBAERHM-UHFFFAOYSA-N
XLogP2.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.04
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-fluoroethanone?
The IUPAC name of 1-(4-bromophenyl)-2-fluoroethanone (CID 10036278) is 1-(4-bromophenyl)-2-fluoroethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-fluoroethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-fluoroethanone is O=C(CF)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-fluoroethanone?
The InChIKey is PATCUTBZBAERHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrFO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4H,5H2.
What are the key properties of 1-(4-bromophenyl)-2-fluoroethanone?
1-(4-bromophenyl)-2-fluoroethanone has a molecular weight of 217.04 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-fluoroethanone is sourced from PubChem (CID 10036278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).