5-bromo-4-fluoro-4-methyl-2,3-dihydrochromene

C10H10BrFO — CID 84728489

IUPAC5-bromo-4-fluoro-4-methyl-2,3-dihydrochromene
SMILESCC1(F)CCOc2cccc(Br)c21
InChIInChI=1S/C10H10BrFO/c1-10(12)5-6-13-8-4-2-3-7(11)9(8)10/h2-4H,5-6H2,1H3
InChIKeyFZOWYWVVGYIDHL-UHFFFAOYSA-N
MW245.09 g/mol
LogP3.42
Rot. Bonds

About 5-bromo-4-fluoro-4-methyl-2,3-dihydrochromene

5-bromo-4-fluoro-4-methyl-2,3-dihydrochromene (PubChem CID 84728489) has the molecular formula C10H10BrFO and a molecular weight of 245.09 g/mol. Its IUPAC name is 5-bromo-4-fluoro-4-methyl-2,3-dihydrochromene.

Molecular Properties

Compound Name5-bromo-4-fluoro-4-methyl-2,3-dihydrochromene
PubChem CID84728489
Molecular FormulaC10H10BrFO
Molecular Weight245.09 g/mol
Exact Mass243.99
IUPAC Name5-bromo-4-fluoro-4-methyl-2,3-dihydrochromene
SMILESCC1(F)CCOc2cccc(Br)c21
InChIInChI=1S/C10H10BrFO/c1-10(12)5-6-13-8-4-2-3-7(11)9(8)10/h2-4H,5-6H2,1H3
InChIKeyFZOWYWVVGYIDHL-UHFFFAOYSA-N
XLogP3.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.09
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-4-methyl-2,3-dihydrochromene?
The IUPAC name of 5-bromo-4-fluoro-4-methyl-2,3-dihydrochromene (CID 84728489) is 5-bromo-4-fluoro-4-methyl-2,3-dihydrochromene.
What is the SMILES notation for 5-bromo-4-fluoro-4-methyl-2,3-dihydrochromene?
The canonical SMILES for 5-bromo-4-fluoro-4-methyl-2,3-dihydrochromene is CC1(F)CCOc2cccc(Br)c21.
What is the InChIKey of 5-bromo-4-fluoro-4-methyl-2,3-dihydrochromene?
The InChIKey is FZOWYWVVGYIDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO/c1-10(12)5-6-13-8-4-2-3-7(11)9(8)10/h2-4H,5-6H2,1H3.
What are the key properties of 5-bromo-4-fluoro-4-methyl-2,3-dihydrochromene?
5-bromo-4-fluoro-4-methyl-2,3-dihydrochromene has a molecular weight of 245.09 g/mol, XLogP of 3.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-4-methyl-2,3-dihydrochromene is sourced from PubChem (CID 84728489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).