(3-bromo-4-fluorophenyl)-(2,5-diethylphenyl)methanone

C17H16BrFO — CID 107949896

IUPAC(3-bromo-4-fluorophenyl)-(2,5-diethylphenyl)methanone
SMILESCCc1ccc(CC)c(C(=O)c2ccc(F)c(Br)c2)c1
InChIInChI=1S/C17H16BrFO/c1-3-11-5-6-12(4-2)14(9-11)17(20)13-7-8-16(19)15(18)10-13/h5-10H,3-4H2,1-2H3
InChIKeyGQIASBOHBSYWIO-UHFFFAOYSA-N
MW335.22 g/mol
LogP4.94
Rot. Bonds4

About (3-bromo-4-fluorophenyl)-(2,5-diethylphenyl)methanone

(3-bromo-4-fluorophenyl)-(2,5-diethylphenyl)methanone (PubChem CID 107949896) has the molecular formula C17H16BrFO and a molecular weight of 335.22 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(2,5-diethylphenyl)methanone.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(2,5-diethylphenyl)methanone
PubChem CID107949896
Molecular FormulaC17H16BrFO
Molecular Weight335.22 g/mol
Exact Mass334.04
IUPAC Name(3-bromo-4-fluorophenyl)-(2,5-diethylphenyl)methanone
SMILESCCc1ccc(CC)c(C(=O)c2ccc(F)c(Br)c2)c1
InChIInChI=1S/C17H16BrFO/c1-3-11-5-6-12(4-2)14(9-11)17(20)13-7-8-16(19)15(18)10-13/h5-10H,3-4H2,1-2H3
InChIKeyGQIASBOHBSYWIO-UHFFFAOYSA-N
XLogP4.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,5-diethylphenyl)-(4-methylsulfanylphenyl)methanone
CID 79215685
(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanone
CID 79736368
N'-[2-(3-bromo-4-fluorophenyl)acetyl]-4-ethylbenzohydrazide
CID 55857179
(3-bromo-4-fluorophenyl)-(5-methylfuran-2-yl)methanone
CID 79735004
3-bromo-4-fluorobenzoyl bromide
CID 3018761
2-(3-bromo-4-fluorophenyl)-1-(4-chlorophenyl)ethanone
CID 63411740
(3-bromo-4-fluorophenyl)-(4-bromothiophen-3-yl)methanone
CID 82808642
1-(3-bromo-4-fluorophenyl)-2-(4-fluorophenyl)ethanone
CID 79737324
(3-amino-5-bromo-2-methylphenyl)-(2,5-diethylphenyl)methanone
CID 107874174
2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanone
CID 114964825
(3-bromo-4-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 114019742
(3-bromo-4-fluorophenyl)-(4-butan-2-ylphenyl)methanone
CID 107949643

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(2,5-diethylphenyl)methanone?
The IUPAC name of (3-bromo-4-fluorophenyl)-(2,5-diethylphenyl)methanone (CID 107949896) is (3-bromo-4-fluorophenyl)-(2,5-diethylphenyl)methanone.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(2,5-diethylphenyl)methanone?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(2,5-diethylphenyl)methanone is CCc1ccc(CC)c(C(=O)c2ccc(F)c(Br)c2)c1.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(2,5-diethylphenyl)methanone?
The InChIKey is GQIASBOHBSYWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFO/c1-3-11-5-6-12(4-2)14(9-11)17(20)13-7-8-16(19)15(18)10-13/h5-10H,3-4H2,1-2H3.
What are the key properties of (3-bromo-4-fluorophenyl)-(2,5-diethylphenyl)methanone?
(3-bromo-4-fluorophenyl)-(2,5-diethylphenyl)methanone has a molecular weight of 335.22 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluorophenyl)-(2,5-diethylphenyl)methanone is sourced from PubChem (CID 107949896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).