(5-bromo-2-fluorophenyl)-(4-butan-2-ylphenyl)methanone

C17H16BrFO — CID 43337782

IUPAC(5-bromo-2-fluorophenyl)-(4-butan-2-ylphenyl)methanone
SMILESCCC(C)c1ccc(C(=O)c2cc(Br)ccc2F)cc1
InChIInChI=1S/C17H16BrFO/c1-3-11(2)12-4-6-13(7-5-12)17(20)15-10-14(18)8-9-16(15)19/h4-11H,3H2,1-2H3
InChIKeyYHBXSYQPMYWFOI-UHFFFAOYSA-N
MW335.22 g/mol
LogP5.33
Rot. Bonds4

About (5-bromo-2-fluorophenyl)-(4-butan-2-ylphenyl)methanone

(5-bromo-2-fluorophenyl)-(4-butan-2-ylphenyl)methanone (PubChem CID 43337782) has the molecular formula C17H16BrFO and a molecular weight of 335.22 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(4-butan-2-ylphenyl)methanone.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(4-butan-2-ylphenyl)methanone
PubChem CID43337782
Molecular FormulaC17H16BrFO
Molecular Weight335.22 g/mol
Exact Mass334.04
IUPAC Name(5-bromo-2-fluorophenyl)-(4-butan-2-ylphenyl)methanone
SMILESCCC(C)c1ccc(C(=O)c2cc(Br)ccc2F)cc1
InChIInChI=1S/C17H16BrFO/c1-3-11(2)12-4-6-13(7-5-12)17(20)15-10-14(18)8-9-16(15)19/h4-11H,3H2,1-2H3
InChIKeyYHBXSYQPMYWFOI-UHFFFAOYSA-N
XLogP5.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.22
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-4-fluorophenyl)-(4-butan-2-ylphenyl)methanone
CID 107949643
(4-butan-2-ylphenyl)-(4-chloro-2,5-difluorophenyl)methanone
CID 82772598
(5-bromo-2-fluorophenyl)-(4-propan-2-yloxyphenyl)methanone
CID 43339553
(4-butan-2-ylphenyl)-(3-chloro-4-fluorophenyl)methanone
CID 82874721
(5-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanone
CID 43337748
(5-bromo-2-fluorophenyl)-[4-(methylaminomethyl)phenyl]methanone
CID 84604720
(5-bromo-2-fluorophenyl)-(3,4,5-trifluorophenyl)methanone
CID 79743346
(5-bromo-2-fluorophenyl)-(3,5-dimethylphenyl)methanone
CID 114894222
(2,5-difluorophenyl)-(4-propan-2-ylphenyl)methanone
CID 43159824
4-(4-butan-2-ylbenzoyl)-6-(4-methylbenzoyl)benzene-1,3-dicarboxylic acid
CID 23586554
(4-butan-2-ylphenyl)-[4-(methylamino)phenyl]methanone
CID 116917421
3-(4-butan-2-ylphenyl)-4-fluorobenzoic acid
CID 107957661

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(4-butan-2-ylphenyl)methanone?
The IUPAC name of (5-bromo-2-fluorophenyl)-(4-butan-2-ylphenyl)methanone (CID 43337782) is (5-bromo-2-fluorophenyl)-(4-butan-2-ylphenyl)methanone.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(4-butan-2-ylphenyl)methanone?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(4-butan-2-ylphenyl)methanone is CCC(C)c1ccc(C(=O)c2cc(Br)ccc2F)cc1.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(4-butan-2-ylphenyl)methanone?
The InChIKey is YHBXSYQPMYWFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFO/c1-3-11(2)12-4-6-13(7-5-12)17(20)15-10-14(18)8-9-16(15)19/h4-11H,3H2,1-2H3.
What are the key properties of (5-bromo-2-fluorophenyl)-(4-butan-2-ylphenyl)methanone?
(5-bromo-2-fluorophenyl)-(4-butan-2-ylphenyl)methanone has a molecular weight of 335.22 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-(4-butan-2-ylphenyl)methanone is sourced from PubChem (CID 43337782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).