(5-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanone

C17H16BrFO — CID 43337748

IUPAC(5-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanone
SMILESCC(C)(C)c1ccc(C(=O)c2cc(Br)ccc2F)cc1
InChIInChI=1S/C17H16BrFO/c1-17(2,3)12-6-4-11(5-7-12)16(20)14-10-13(18)8-9-15(14)19/h4-10H,1-3H3
InChIKeyYVOIIOFYEKZNCQ-UHFFFAOYSA-N
MW335.22 g/mol
LogP5.12
Rot. Bonds2

About (5-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanone

(5-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanone (PubChem CID 43337748) has the molecular formula C17H16BrFO and a molecular weight of 335.22 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanone.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanone
PubChem CID43337748
Molecular FormulaC17H16BrFO
Molecular Weight335.22 g/mol
Exact Mass334.04
IUPAC Name(5-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanone
SMILESCC(C)(C)c1ccc(C(=O)c2cc(Br)ccc2F)cc1
InChIInChI=1S/C17H16BrFO/c1-17(2,3)12-6-4-11(5-7-12)16(20)14-10-13(18)8-9-15(14)19/h4-10H,1-3H3
InChIKeyYVOIIOFYEKZNCQ-UHFFFAOYSA-N
XLogP5.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.22
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5-bromo-2-methylphenyl)-(4-tert-butylphenyl)methanone
CID 65306382
(5-bromo-2-fluorophenyl)-(3,4,5-trifluorophenyl)methanone
CID 79743346
(4-bromo-2-chlorophenyl)-(4-tert-butylphenyl)methanone
CID 43805057
(5-bromo-2-fluorophenyl)-[4-(methylaminomethyl)phenyl]methanone
CID 84604720
(5-bromo-2-fluorophenyl)-(3,5-dimethylphenyl)methanone
CID 114894222
(5-bromo-2-fluorophenyl)-(4-propan-2-yloxyphenyl)methanone
CID 43339553
(5-bromo-2-fluorophenyl)-(4-butan-2-ylphenyl)methanone
CID 43337782
1-(5-bromo-2-fluorophenyl)-2-fluoro-2-methylpropan-1-one
CID 126982063
(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methanone
CID 43337432
(5-bromo-2-fluorophenyl)-thiophen-3-ylmethanone
CID 79742362
(5-bromo-2-fluorophenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 46929742
(2-bromo-5-methylphenyl)-(4-tert-butylphenyl)methanone
CID 81110791

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanone?
The IUPAC name of (5-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanone (CID 43337748) is (5-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanone.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanone?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanone is CC(C)(C)c1ccc(C(=O)c2cc(Br)ccc2F)cc1.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanone?
The InChIKey is YVOIIOFYEKZNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFO/c1-17(2,3)12-6-4-11(5-7-12)16(20)14-10-13(18)8-9-15(14)19/h4-10H,1-3H3.
What are the key properties of (5-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanone?
(5-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanone has a molecular weight of 335.22 g/mol, XLogP of 5.12, 2 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-tert-butylphenyl)methanone is sourced from PubChem (CID 43337748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).