(3-bromo-5-fluorophenyl)-(4-propan-2-ylphenyl)methanone

C16H14BrFO — CID 43625107

IUPAC(3-bromo-5-fluorophenyl)-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)c2cc(F)cc(Br)c2)cc1
InChIInChI=1S/C16H14BrFO/c1-10(2)11-3-5-12(6-4-11)16(19)13-7-14(17)9-15(18)8-13/h3-10H,1-2H3
InChIKeyTYNRVROENKLLJI-UHFFFAOYSA-N
MW321.19 g/mol
LogP4.94
Rot. Bonds3

About (3-bromo-5-fluorophenyl)-(4-propan-2-ylphenyl)methanone

(3-bromo-5-fluorophenyl)-(4-propan-2-ylphenyl)methanone (PubChem CID 43625107) has the molecular formula C16H14BrFO and a molecular weight of 321.19 g/mol. Its IUPAC name is (3-bromo-5-fluorophenyl)-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name(3-bromo-5-fluorophenyl)-(4-propan-2-ylphenyl)methanone
PubChem CID43625107
Molecular FormulaC16H14BrFO
Molecular Weight321.19 g/mol
Exact Mass320.02
IUPAC Name(3-bromo-5-fluorophenyl)-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)c2cc(F)cc(Br)c2)cc1
InChIInChI=1S/C16H14BrFO/c1-10(2)11-3-5-12(6-4-11)16(19)13-7-14(17)9-15(18)8-13/h3-10H,1-2H3
InChIKeyTYNRVROENKLLJI-UHFFFAOYSA-N
XLogP4.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.19
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3-bromo-5-fluorophenyl)-(4-propan-2-ylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-bromo-5-fluorophenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 43248253
(4-fluoro-3,5-dimethylphenyl)-(4-propan-2-ylphenyl)methanone
CID 65299129
(4-bromophenyl)-(3-fluoro-5-methylphenyl)methanone
CID 24723251
(3-bromo-5-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43474017
bis[4-(4-propan-2-ylphenyl)phenyl]methanone
CID 175028930
(3-bromo-5-fluorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43248240
(2,4-dibromophenyl)-(4-propan-2-ylphenyl)methanone
CID 107944448
(2,5-difluorophenyl)-(4-propan-2-ylphenyl)methanone
CID 43159824
1-bromo-3-[chloro-(4-propan-2-ylphenyl)methyl]-5-fluorobenzene
CID 63434558
(3-propan-2-ylphenyl)-(4-propan-2-ylphenyl)methanone
CID 170780602
(3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methanone
CID 2758285
(3-bromo-5-chlorophenyl)-(4-propan-2-yloxyphenyl)methanone
CID 107944446

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-fluorophenyl)-(4-propan-2-ylphenyl)methanone?
The IUPAC name of (3-bromo-5-fluorophenyl)-(4-propan-2-ylphenyl)methanone (CID 43625107) is (3-bromo-5-fluorophenyl)-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for (3-bromo-5-fluorophenyl)-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for (3-bromo-5-fluorophenyl)-(4-propan-2-ylphenyl)methanone is CC(C)c1ccc(C(=O)c2cc(F)cc(Br)c2)cc1.
What is the InChIKey of (3-bromo-5-fluorophenyl)-(4-propan-2-ylphenyl)methanone?
The InChIKey is TYNRVROENKLLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFO/c1-10(2)11-3-5-12(6-4-11)16(19)13-7-14(17)9-15(18)8-13/h3-10H,1-2H3.
What are the key properties of (3-bromo-5-fluorophenyl)-(4-propan-2-ylphenyl)methanone?
(3-bromo-5-fluorophenyl)-(4-propan-2-ylphenyl)methanone has a molecular weight of 321.19 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-fluorophenyl)-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 43625107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).