1-bromo-2-fluorobenzene;oxolane

C10H12BrFO — CID 158999979

IUPAC1-bromo-2-fluorobenzene;oxolane
SMILESC1CCOC1.Fc1ccccc1Br
InChIInChI=1S/C6H4BrF.C4H8O/c7-5-3-1-2-4-6(5)8;1-2-4-5-3-1/h1-4H;1-4H2
InChIKeyJRFLCIYTYKUACZ-UHFFFAOYSA-N
MW247.11 g/mol
LogP3.38
Rot. Bonds

About 1-bromo-2-fluorobenzene;oxolane

1-bromo-2-fluorobenzene;oxolane (PubChem CID 158999979) has the molecular formula C10H12BrFO and a molecular weight of 247.11 g/mol. Its IUPAC name is 1-bromo-2-fluorobenzene;oxolane.

Molecular Properties

Compound Name1-bromo-2-fluorobenzene;oxolane
PubChem CID158999979
Molecular FormulaC10H12BrFO
Molecular Weight247.11 g/mol
Exact Mass246.01
IUPAC Name1-bromo-2-fluorobenzene;oxolane
SMILESC1CCOC1.Fc1ccccc1Br
InChIInChI=1S/C6H4BrF.C4H8O/c7-5-3-1-2-4-6(5)8;1-2-4-5-3-1/h1-4H;1-4H2
InChIKeyJRFLCIYTYKUACZ-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.11
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-fluorobenzene;oxolane?
The IUPAC name of 1-bromo-2-fluorobenzene;oxolane (CID 158999979) is 1-bromo-2-fluorobenzene;oxolane.
What is the SMILES notation for 1-bromo-2-fluorobenzene;oxolane?
The canonical SMILES for 1-bromo-2-fluorobenzene;oxolane is C1CCOC1.Fc1ccccc1Br.
What is the InChIKey of 1-bromo-2-fluorobenzene;oxolane?
The InChIKey is JRFLCIYTYKUACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF.C4H8O/c7-5-3-1-2-4-6(5)8;1-2-4-5-3-1/h1-4H;1-4H2.
What are the key properties of 1-bromo-2-fluorobenzene;oxolane?
1-bromo-2-fluorobenzene;oxolane has a molecular weight of 247.11 g/mol, XLogP of 3.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-fluorobenzene;oxolane is sourced from PubChem (CID 158999979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).