6-bromo-5-fluoro-2-propyl-2,3-dihydro-1-benzofuran-3-ol

C11H12BrFO2 — CID 83234025

IUPAC6-bromo-5-fluoro-2-propyl-2,3-dihydro-1-benzofuran-3-ol
SMILESCCCC1Oc2cc(Br)c(F)cc2C1O
InChIInChI=1S/C11H12BrFO2/c1-2-3-9-11(14)6-4-8(13)7(12)5-10(6)15-9/h4-5,9,11,14H,2-3H2,1H3
InChIKeyVZKYFOSCCXGLRY-UHFFFAOYSA-N
MW275.12 g/mol
LogP3.18
Rot. Bonds2

About 6-bromo-5-fluoro-2-propyl-2,3-dihydro-1-benzofuran-3-ol

6-bromo-5-fluoro-2-propyl-2,3-dihydro-1-benzofuran-3-ol (PubChem CID 83234025) has the molecular formula C11H12BrFO2 and a molecular weight of 275.12 g/mol. Its IUPAC name is 6-bromo-5-fluoro-2-propyl-2,3-dihydro-1-benzofuran-3-ol.

Molecular Properties

Compound Name6-bromo-5-fluoro-2-propyl-2,3-dihydro-1-benzofuran-3-ol
PubChem CID83234025
Molecular FormulaC11H12BrFO2
Molecular Weight275.12 g/mol
Exact Mass274.00
IUPAC Name6-bromo-5-fluoro-2-propyl-2,3-dihydro-1-benzofuran-3-ol
SMILESCCCC1Oc2cc(Br)c(F)cc2C1O
InChIInChI=1S/C11H12BrFO2/c1-2-3-9-11(14)6-4-8(13)7(12)5-10(6)15-9/h4-5,9,11,14H,2-3H2,1H3
InChIKeyVZKYFOSCCXGLRY-UHFFFAOYSA-N
XLogP3.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-6-fluoro-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83049038
5-bromo-6-fluoro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine
CID 83049037
5,7-difluoro-2-propyl-2,3-dihydro-1-benzofuran-3-ol
CID 83047450
6-bromo-5-fluoro-2-methyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83233982
5-bromo-2-ethyl-6-fluoro-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 113304917
5-bromo-N,2-diethyl-6-fluoro-2,3-dihydro-1-benzofuran-3-amine
CID 115410622
5-(2-methylbutan-2-yl)-2-propyl-2,3-dihydro-1-benzofuran-3-ol
CID 83047572
6-bromo-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83048942
4,6-difluoro-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83049517
4,6-difluoro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine
CID 83049410
5-bromo-7-fluoro-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83048927
5-bromo-N-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83049616

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-fluoro-2-propyl-2,3-dihydro-1-benzofuran-3-ol?
The IUPAC name of 6-bromo-5-fluoro-2-propyl-2,3-dihydro-1-benzofuran-3-ol (CID 83234025) is 6-bromo-5-fluoro-2-propyl-2,3-dihydro-1-benzofuran-3-ol.
What is the SMILES notation for 6-bromo-5-fluoro-2-propyl-2,3-dihydro-1-benzofuran-3-ol?
The canonical SMILES for 6-bromo-5-fluoro-2-propyl-2,3-dihydro-1-benzofuran-3-ol is CCCC1Oc2cc(Br)c(F)cc2C1O.
What is the InChIKey of 6-bromo-5-fluoro-2-propyl-2,3-dihydro-1-benzofuran-3-ol?
The InChIKey is VZKYFOSCCXGLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFO2/c1-2-3-9-11(14)6-4-8(13)7(12)5-10(6)15-9/h4-5,9,11,14H,2-3H2,1H3.
What are the key properties of 6-bromo-5-fluoro-2-propyl-2,3-dihydro-1-benzofuran-3-ol?
6-bromo-5-fluoro-2-propyl-2,3-dihydro-1-benzofuran-3-ol has a molecular weight of 275.12 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-fluoro-2-propyl-2,3-dihydro-1-benzofuran-3-ol is sourced from PubChem (CID 83234025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).