2-bromo-1,4-difluorobenzene;oxolane

C10H11BrF2O — CID 162146776

IUPAC2-bromo-1,4-difluorobenzene;oxolane
SMILESC1CCOC1.Fc1ccc(F)c(Br)c1
InChIInChI=1S/C6H3BrF2.C4H8O/c7-5-3-4(8)1-2-6(5)9;1-2-4-5-3-1/h1-3H;1-4H2
InChIKeyZKQSPLPQWCNZDR-UHFFFAOYSA-N
MW265.10 g/mol
LogP3.52
Rot. Bonds

About 2-bromo-1,4-difluorobenzene;oxolane

2-bromo-1,4-difluorobenzene;oxolane (PubChem CID 162146776) has the molecular formula C10H11BrF2O and a molecular weight of 265.10 g/mol. Its IUPAC name is 2-bromo-1,4-difluorobenzene;oxolane.

Molecular Properties

Compound Name2-bromo-1,4-difluorobenzene;oxolane
PubChem CID162146776
Molecular FormulaC10H11BrF2O
Molecular Weight265.10 g/mol
Exact Mass264.00
IUPAC Name2-bromo-1,4-difluorobenzene;oxolane
SMILESC1CCOC1.Fc1ccc(F)c(Br)c1
InChIInChI=1S/C6H3BrF2.C4H8O/c7-5-3-4(8)1-2-6(5)9;1-2-4-5-3-1/h1-3H;1-4H2
InChIKeyZKQSPLPQWCNZDR-UHFFFAOYSA-N
XLogP3.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.10
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,4-difluorobenzene;oxolane?
The IUPAC name of 2-bromo-1,4-difluorobenzene;oxolane (CID 162146776) is 2-bromo-1,4-difluorobenzene;oxolane.
What is the SMILES notation for 2-bromo-1,4-difluorobenzene;oxolane?
The canonical SMILES for 2-bromo-1,4-difluorobenzene;oxolane is C1CCOC1.Fc1ccc(F)c(Br)c1.
What is the InChIKey of 2-bromo-1,4-difluorobenzene;oxolane?
The InChIKey is ZKQSPLPQWCNZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrF2.C4H8O/c7-5-3-4(8)1-2-6(5)9;1-2-4-5-3-1/h1-3H;1-4H2.
What are the key properties of 2-bromo-1,4-difluorobenzene;oxolane?
2-bromo-1,4-difluorobenzene;oxolane has a molecular weight of 265.10 g/mol, XLogP of 3.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,4-difluorobenzene;oxolane is sourced from PubChem (CID 162146776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).