1-bromo-2-fluorobenzene;ethane

C8H10BrF — CID 91109851

IUPAC1-bromo-2-fluorobenzene;ethane
SMILESCC.Fc1ccccc1Br
InChIInChI=1S/C6H4BrF.C2H6/c7-5-3-1-2-4-6(5)8;1-2/h1-4H;1-2H3
InChIKeyULWUWLYBQJGRGB-UHFFFAOYSA-N
MW205.07 g/mol
LogP3.61
Rot. Bonds

About 1-bromo-2-fluorobenzene;ethane

1-bromo-2-fluorobenzene;ethane (PubChem CID 91109851) has the molecular formula C8H10BrF and a molecular weight of 205.07 g/mol. Its IUPAC name is 1-bromo-2-fluorobenzene;ethane.

Molecular Properties

Compound Name1-bromo-2-fluorobenzene;ethane
PubChem CID91109851
Molecular FormulaC8H10BrF
Molecular Weight205.07 g/mol
Exact Mass203.99
IUPAC Name1-bromo-2-fluorobenzene;ethane
SMILESCC.Fc1ccccc1Br
InChIInChI=1S/C6H4BrF.C2H6/c7-5-3-1-2-4-6(5)8;1-2/h1-4H;1-2H3
InChIKeyULWUWLYBQJGRGB-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.07
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-fluorobenzene;ethane?
The IUPAC name of 1-bromo-2-fluorobenzene;ethane (CID 91109851) is 1-bromo-2-fluorobenzene;ethane.
What is the SMILES notation for 1-bromo-2-fluorobenzene;ethane?
The canonical SMILES for 1-bromo-2-fluorobenzene;ethane is CC.Fc1ccccc1Br.
What is the InChIKey of 1-bromo-2-fluorobenzene;ethane?
The InChIKey is ULWUWLYBQJGRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF.C2H6/c7-5-3-1-2-4-6(5)8;1-2/h1-4H;1-2H3.
What are the key properties of 1-bromo-2-fluorobenzene;ethane?
1-bromo-2-fluorobenzene;ethane has a molecular weight of 205.07 g/mol, XLogP of 3.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-fluorobenzene;ethane is sourced from PubChem (CID 91109851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).