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

C11H14BrFO — CID 91730098

IUPAC1-bromo-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]benzene
SMILESCC(C)(C)OCc1cc(F)ccc1Br
InChIInChI=1S/C11H14BrFO/c1-11(2,3)14-7-8-6-9(13)4-5-10(8)12/h4-6H,7H2,1-3H3
InChIKeyYGLXCCJAAKQZSM-UHFFFAOYSA-N
MW261.13 g/mol
LogP3.90
Rot. Bonds2

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

1-bromo-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]benzene (PubChem CID 91730098) has the molecular formula C11H14BrFO and a molecular weight of 261.13 g/mol. Its IUPAC name is 1-bromo-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]benzene.

Molecular Properties

Compound Name1-bromo-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]benzene
PubChem CID91730098
Molecular FormulaC11H14BrFO
Molecular Weight261.13 g/mol
Exact Mass260.02
IUPAC Name1-bromo-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]benzene
SMILESCC(C)(C)OCc1cc(F)ccc1Br
InChIInChI=1S/C11H14BrFO/c1-11(2,3)14-7-8-6-9(13)4-5-10(8)12/h4-6H,7H2,1-3H3
InChIKeyYGLXCCJAAKQZSM-UHFFFAOYSA-N
XLogP3.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.13
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]benzene?
The IUPAC name of 1-bromo-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]benzene (CID 91730098) is 1-bromo-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]benzene.
What is the SMILES notation for 1-bromo-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]benzene?
The canonical SMILES for 1-bromo-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]benzene is CC(C)(C)OCc1cc(F)ccc1Br.
What is the InChIKey of 1-bromo-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]benzene?
The InChIKey is YGLXCCJAAKQZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFO/c1-11(2,3)14-7-8-6-9(13)4-5-10(8)12/h4-6H,7H2,1-3H3.
What are the key properties of 1-bromo-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]benzene?
1-bromo-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]benzene has a molecular weight of 261.13 g/mol, XLogP of 3.90, 2 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)oxymethyl]benzene is sourced from PubChem (CID 91730098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).