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

C7H5BrF2O — CID 2773287

IUPAC5-bromo-1,3-difluoro-2-methoxybenzene
SMILESCOc1c(F)cc(Br)cc1F
InChIInChI=1S/C7H5BrF2O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3
InChIKeyCDOQKISJPOWBKC-UHFFFAOYSA-N
MW223.02 g/mol
LogP2.74
Rot. Bonds1

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

5-bromo-1,3-difluoro-2-methoxybenzene (PubChem CID 2773287) has the molecular formula C7H5BrF2O and a molecular weight of 223.02 g/mol. Its IUPAC name is 5-bromo-1,3-difluoro-2-methoxybenzene.

Molecular Properties

Compound Name5-bromo-1,3-difluoro-2-methoxybenzene
PubChem CID2773287
Molecular FormulaC7H5BrF2O
Molecular Weight223.02 g/mol
Exact Mass221.95
IUPAC Name5-bromo-1,3-difluoro-2-methoxybenzene
SMILESCOc1c(F)cc(Br)cc1F
InChIInChI=1S/C7H5BrF2O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3
InChIKeyCDOQKISJPOWBKC-UHFFFAOYSA-N
XLogP2.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.02
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-1,3-difluoro-2-methoxybenzene;ethane
CID 144516394
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5-bromo-1,3-dichloro-2-methoxybenzene;4-bromo-2,6-dichlorophenol;5-bromo-1,3-difluoro-2-methoxybenzene;4-bromo-2,6-difluorophenol
CID 162005787
5-bromo-3-fluoro-2-methoxybenzenesulfinic acid
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CID 164894429
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CID 89073638
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,3-difluoro-2-methoxybenzene?
The IUPAC name of 5-bromo-1,3-difluoro-2-methoxybenzene (CID 2773287) is 5-bromo-1,3-difluoro-2-methoxybenzene.
What is the SMILES notation for 5-bromo-1,3-difluoro-2-methoxybenzene?
The canonical SMILES for 5-bromo-1,3-difluoro-2-methoxybenzene is COc1c(F)cc(Br)cc1F.
What is the InChIKey of 5-bromo-1,3-difluoro-2-methoxybenzene?
The InChIKey is CDOQKISJPOWBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3.
What are the key properties of 5-bromo-1,3-difluoro-2-methoxybenzene?
5-bromo-1,3-difluoro-2-methoxybenzene has a molecular weight of 223.02 g/mol, XLogP of 2.74, 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 is sourced from PubChem (CID 2773287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).