1-bromo-4-fluoro-2-[(2-methylpropan-2-yl)oxy]benzene

C10H12BrFO — CID 101467707

IUPAC1-bromo-4-fluoro-2-[(2-methylpropan-2-yl)oxy]benzene
SMILESCC(C)(C)Oc1cc(F)ccc1Br
InChIInChI=1S/C10H12BrFO/c1-10(2,3)13-9-6-7(12)4-5-8(9)11/h4-6H,1-3H3
InChIKeyYSYOBWIBVCCPFG-UHFFFAOYSA-N
MW247.11 g/mol
LogP3.77
Rot. Bonds1

About 1-bromo-4-fluoro-2-[(2-methylpropan-2-yl)oxy]benzene

1-bromo-4-fluoro-2-[(2-methylpropan-2-yl)oxy]benzene (PubChem CID 101467707) has the molecular formula C10H12BrFO and a molecular weight of 247.11 g/mol. Its IUPAC name is 1-bromo-4-fluoro-2-[(2-methylpropan-2-yl)oxy]benzene.

Molecular Properties

Compound Name1-bromo-4-fluoro-2-[(2-methylpropan-2-yl)oxy]benzene
PubChem CID101467707
Molecular FormulaC10H12BrFO
Molecular Weight247.11 g/mol
Exact Mass246.01
IUPAC Name1-bromo-4-fluoro-2-[(2-methylpropan-2-yl)oxy]benzene
SMILESCC(C)(C)Oc1cc(F)ccc1Br
InChIInChI=1S/C10H12BrFO/c1-10(2,3)13-9-6-7(12)4-5-8(9)11/h4-6H,1-3H3
InChIKeyYSYOBWIBVCCPFG-UHFFFAOYSA-N
XLogP3.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.11
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-1-methoxy-2-[(2-methylpropan-2-yl)oxy]benzene
CID 53484257
3-(2-bromo-5-fluorophenoxy)-2,2-dimethylpropanal
CID 165409834
1-bromo-2-(difluoromethoxy)-4-fluorobenzene
CID 45158711
4-fluoro-2-[(2-methylpropan-2-yl)oxy]-1-nitrobenzene
CID 71757600
tert-butyl 3-(2-bromo-5-fluorophenoxy)propanoate
CID 116659251
(1R)-1-[5-fluoro-2-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
CID 29003340
2-bromo-4-methyl-1-[(2-methylpropan-2-yl)oxy]benzene
CID 117058856
5-bromo-6-(2-bromo-5-fluorophenoxy)pyrimidin-4-amine
CID 114073540
1-bromo-4-methylsulfanyl-2-(trifluoromethoxy)benzene
CID 170998648
4-(2-bromo-5-fluorophenoxy)-2-chloro-5-methylpyridine
CID 83267100
tert-butyl 2-(2-bromo-5-fluorophenyl)acetate
CID 176515254
1-bromo-4-[(E)-2-(4-fluorophenyl)ethenyl]-2-methoxybenzene
CID 130290825

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-fluoro-2-[(2-methylpropan-2-yl)oxy]benzene?
The IUPAC name of 1-bromo-4-fluoro-2-[(2-methylpropan-2-yl)oxy]benzene (CID 101467707) is 1-bromo-4-fluoro-2-[(2-methylpropan-2-yl)oxy]benzene.
What is the SMILES notation for 1-bromo-4-fluoro-2-[(2-methylpropan-2-yl)oxy]benzene?
The canonical SMILES for 1-bromo-4-fluoro-2-[(2-methylpropan-2-yl)oxy]benzene is CC(C)(C)Oc1cc(F)ccc1Br.
What is the InChIKey of 1-bromo-4-fluoro-2-[(2-methylpropan-2-yl)oxy]benzene?
The InChIKey is YSYOBWIBVCCPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFO/c1-10(2,3)13-9-6-7(12)4-5-8(9)11/h4-6H,1-3H3.
What are the key properties of 1-bromo-4-fluoro-2-[(2-methylpropan-2-yl)oxy]benzene?
1-bromo-4-fluoro-2-[(2-methylpropan-2-yl)oxy]benzene has a molecular weight of 247.11 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-fluoro-2-[(2-methylpropan-2-yl)oxy]benzene is sourced from PubChem (CID 101467707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).