(4-bromo-3-fluorophenyl)-(2-cyclobutylphenyl)methanone

C17H14BrFO — CID 115813675

IUPAC(4-bromo-3-fluorophenyl)-(2-cyclobutylphenyl)methanone
SMILESO=C(c1ccc(Br)c(F)c1)c1ccccc1C1CCC1
InChIInChI=1S/C17H14BrFO/c18-15-9-8-12(10-16(15)19)17(20)14-7-2-1-6-13(14)11-4-3-5-11/h1-2,6-11H,3-5H2
InChIKeyXCKYECYFFSBLGR-UHFFFAOYSA-N
MW333.20 g/mol
LogP5.09
Rot. Bonds3

About (4-bromo-3-fluorophenyl)-(2-cyclobutylphenyl)methanone

(4-bromo-3-fluorophenyl)-(2-cyclobutylphenyl)methanone (PubChem CID 115813675) has the molecular formula C17H14BrFO and a molecular weight of 333.20 g/mol. Its IUPAC name is (4-bromo-3-fluorophenyl)-(2-cyclobutylphenyl)methanone.

Molecular Properties

Compound Name(4-bromo-3-fluorophenyl)-(2-cyclobutylphenyl)methanone
PubChem CID115813675
Molecular FormulaC17H14BrFO
Molecular Weight333.20 g/mol
Exact Mass332.02
IUPAC Name(4-bromo-3-fluorophenyl)-(2-cyclobutylphenyl)methanone
SMILESO=C(c1ccc(Br)c(F)c1)c1ccccc1C1CCC1
InChIInChI=1S/C17H14BrFO/c18-15-9-8-12(10-16(15)19)17(20)14-7-2-1-6-13(14)11-4-3-5-11/h1-2,6-11H,3-5H2
InChIKeyXCKYECYFFSBLGR-UHFFFAOYSA-N
XLogP5.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.20
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-fluorophenyl)-(2-cyclobutylphenyl)methanone?
The IUPAC name of (4-bromo-3-fluorophenyl)-(2-cyclobutylphenyl)methanone (CID 115813675) is (4-bromo-3-fluorophenyl)-(2-cyclobutylphenyl)methanone.
What is the SMILES notation for (4-bromo-3-fluorophenyl)-(2-cyclobutylphenyl)methanone?
The canonical SMILES for (4-bromo-3-fluorophenyl)-(2-cyclobutylphenyl)methanone is O=C(c1ccc(Br)c(F)c1)c1ccccc1C1CCC1.
What is the InChIKey of (4-bromo-3-fluorophenyl)-(2-cyclobutylphenyl)methanone?
The InChIKey is XCKYECYFFSBLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrFO/c18-15-9-8-12(10-16(15)19)17(20)14-7-2-1-6-13(14)11-4-3-5-11/h1-2,6-11H,3-5H2.
What are the key properties of (4-bromo-3-fluorophenyl)-(2-cyclobutylphenyl)methanone?
(4-bromo-3-fluorophenyl)-(2-cyclobutylphenyl)methanone has a molecular weight of 333.20 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-fluorophenyl)-(2-cyclobutylphenyl)methanone is sourced from PubChem (CID 115813675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).