6-bromo-4,4-difluoro-2,3-dihydrochromene

C9H7BrF2O — CID 84706804

IUPAC6-bromo-4,4-difluoro-2,3-dihydrochromene
SMILESFC1(F)CCOc2ccc(Br)cc21
InChIInChI=1S/C9H7BrF2O/c10-6-1-2-8-7(5-6)9(11,12)3-4-13-8/h1-2,5H,3-4H2
InChIKeyUJUNRVPKJVWMBB-UHFFFAOYSA-N
MW249.05 g/mol
LogP3.32
Rot. Bonds

About 6-bromo-4,4-difluoro-2,3-dihydrochromene

6-bromo-4,4-difluoro-2,3-dihydrochromene (PubChem CID 84706804) has the molecular formula C9H7BrF2O and a molecular weight of 249.05 g/mol. Its IUPAC name is 6-bromo-4,4-difluoro-2,3-dihydrochromene.

Molecular Properties

Compound Name6-bromo-4,4-difluoro-2,3-dihydrochromene
PubChem CID84706804
Molecular FormulaC9H7BrF2O
Molecular Weight249.05 g/mol
Exact Mass247.96
IUPAC Name6-bromo-4,4-difluoro-2,3-dihydrochromene
SMILESFC1(F)CCOc2ccc(Br)cc21
InChIInChI=1S/C9H7BrF2O/c10-6-1-2-8-7(5-6)9(11,12)3-4-13-8/h1-2,5H,3-4H2
InChIKeyUJUNRVPKJVWMBB-UHFFFAOYSA-N
XLogP3.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.05
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4,4-difluoro-2,3-dihydrochromene?
The IUPAC name of 6-bromo-4,4-difluoro-2,3-dihydrochromene (CID 84706804) is 6-bromo-4,4-difluoro-2,3-dihydrochromene.
What is the SMILES notation for 6-bromo-4,4-difluoro-2,3-dihydrochromene?
The canonical SMILES for 6-bromo-4,4-difluoro-2,3-dihydrochromene is FC1(F)CCOc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-4,4-difluoro-2,3-dihydrochromene?
The InChIKey is UJUNRVPKJVWMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF2O/c10-6-1-2-8-7(5-6)9(11,12)3-4-13-8/h1-2,5H,3-4H2.
What are the key properties of 6-bromo-4,4-difluoro-2,3-dihydrochromene?
6-bromo-4,4-difluoro-2,3-dihydrochromene has a molecular weight of 249.05 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4,4-difluoro-2,3-dihydrochromene is sourced from PubChem (CID 84706804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).