5-bromo-1,3-difluoro-2-methoxybenzene;ethane

C9H11BrF2O — CID 144516394

IUPAC5-bromo-1,3-difluoro-2-methoxybenzene;ethane
SMILESCC.COc1c(F)cc(Br)cc1F
InChIInChI=1S/C7H5BrF2O.C2H6/c1-11-7-5(9)2-4(8)3-6(7)10;1-2/h2-3H,1H3;1-2H3
InChIKeyMCDDCEXFGAEXOE-UHFFFAOYSA-N
MW253.09 g/mol
LogP3.76
Rot. Bonds1

About 5-bromo-1,3-difluoro-2-methoxybenzene;ethane

5-bromo-1,3-difluoro-2-methoxybenzene;ethane (PubChem CID 144516394) has the molecular formula C9H11BrF2O and a molecular weight of 253.09 g/mol. Its IUPAC name is 5-bromo-1,3-difluoro-2-methoxybenzene;ethane.

Molecular Properties

Compound Name5-bromo-1,3-difluoro-2-methoxybenzene;ethane
PubChem CID144516394
Molecular FormulaC9H11BrF2O
Molecular Weight253.09 g/mol
Exact Mass252.00
IUPAC Name5-bromo-1,3-difluoro-2-methoxybenzene;ethane
SMILESCC.COc1c(F)cc(Br)cc1F
InChIInChI=1S/C7H5BrF2O.C2H6/c1-11-7-5(9)2-4(8)3-6(7)10;1-2/h2-3H,1H3;1-2H3
InChIKeyMCDDCEXFGAEXOE-UHFFFAOYSA-N
XLogP3.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.09
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 162005787
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3-(5-bromo-3-fluoro-2-methoxyphenyl)-2-methylpropan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,3-difluoro-2-methoxybenzene;ethane?
The IUPAC name of 5-bromo-1,3-difluoro-2-methoxybenzene;ethane (CID 144516394) is 5-bromo-1,3-difluoro-2-methoxybenzene;ethane.
What is the SMILES notation for 5-bromo-1,3-difluoro-2-methoxybenzene;ethane?
The canonical SMILES for 5-bromo-1,3-difluoro-2-methoxybenzene;ethane is CC.COc1c(F)cc(Br)cc1F.
What is the InChIKey of 5-bromo-1,3-difluoro-2-methoxybenzene;ethane?
The InChIKey is MCDDCEXFGAEXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2O.C2H6/c1-11-7-5(9)2-4(8)3-6(7)10;1-2/h2-3H,1H3;1-2H3.
What are the key properties of 5-bromo-1,3-difluoro-2-methoxybenzene;ethane?
5-bromo-1,3-difluoro-2-methoxybenzene;ethane has a molecular weight of 253.09 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,3-difluoro-2-methoxybenzene;ethane is sourced from PubChem (CID 144516394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).