(3-bromo-2-fluorophenyl)-(2-tert-butylphenyl)methanone

C17H16BrFO — CID 106647329

IUPAC(3-bromo-2-fluorophenyl)-(2-tert-butylphenyl)methanone
SMILESCC(C)(C)c1ccccc1C(=O)c1cccc(Br)c1F
InChIInChI=1S/C17H16BrFO/c1-17(2,3)13-9-5-4-7-11(13)16(20)12-8-6-10-14(18)15(12)19/h4-10H,1-3H3
InChIKeyGYPPPFPOTHUJAT-UHFFFAOYSA-N
MW335.22 g/mol
LogP5.12
Rot. Bonds2

About (3-bromo-2-fluorophenyl)-(2-tert-butylphenyl)methanone

(3-bromo-2-fluorophenyl)-(2-tert-butylphenyl)methanone (PubChem CID 106647329) has the molecular formula C17H16BrFO and a molecular weight of 335.22 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(2-tert-butylphenyl)methanone.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(2-tert-butylphenyl)methanone
PubChem CID106647329
Molecular FormulaC17H16BrFO
Molecular Weight335.22 g/mol
Exact Mass334.04
IUPAC Name(3-bromo-2-fluorophenyl)-(2-tert-butylphenyl)methanone
SMILESCC(C)(C)c1ccccc1C(=O)c1cccc(Br)c1F
InChIInChI=1S/C17H16BrFO/c1-17(2,3)13-9-5-4-7-11(13)16(20)12-8-6-10-14(18)15(12)19/h4-10H,1-3H3
InChIKeyGYPPPFPOTHUJAT-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

(3-bromo-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone
CID 114020633
(2-tert-butylphenyl)-(2-chlorophenyl)methanone
CID 14145194
(3-bromo-2-fluorophenyl)-(2,5-dimethylphenyl)methanone
CID 106647432
(3-bromo-2-fluorophenyl)-[2-bromo-5-(trifluoromethyl)phenyl]methanone
CID 106647447
(3-bromo-2-methylphenyl)-(2,3-difluorophenyl)methanone
CID 114973529
(3-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanone
CID 106647466
(3-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 107949862
(3-bromo-2-fluorophenyl)-(3-methyl-4-pyridinyl)methanone
CID 106644923
3-bromo-2-fluoro-N,N-dimethylbenzamide
CID 59375042
(3-bromo-2-fluorophenyl)-(1H-pyrrol-2-yl)methanone
CID 107949876
(3-bromo-2-fluorophenyl)-quinolin-4-ylmethanone
CID 106647422
(3-bromo-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 107949988

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(2-tert-butylphenyl)methanone?
The IUPAC name of (3-bromo-2-fluorophenyl)-(2-tert-butylphenyl)methanone (CID 106647329) is (3-bromo-2-fluorophenyl)-(2-tert-butylphenyl)methanone.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(2-tert-butylphenyl)methanone?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(2-tert-butylphenyl)methanone is CC(C)(C)c1ccccc1C(=O)c1cccc(Br)c1F.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(2-tert-butylphenyl)methanone?
The InChIKey is GYPPPFPOTHUJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFO/c1-17(2,3)13-9-5-4-7-11(13)16(20)12-8-6-10-14(18)15(12)19/h4-10H,1-3H3.
What are the key properties of (3-bromo-2-fluorophenyl)-(2-tert-butylphenyl)methanone?
(3-bromo-2-fluorophenyl)-(2-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 (3-bromo-2-fluorophenyl)-(2-tert-butylphenyl)methanone is sourced from PubChem (CID 106647329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).