4-bromo-1-fluoro-2,3-dihydro-1H-inden-2-ol

C9H8BrFO — CID 14515301

IUPAC4-bromo-1-fluoro-2,3-dihydro-1H-inden-2-ol
SMILESOC1Cc2c(Br)cccc2C1F
InChIInChI=1S/C9H8BrFO/c10-7-3-1-2-5-6(7)4-8(12)9(5)11/h1-3,8-9,12H,4H2
InChIKeyHYALQCUAOVQTQD-UHFFFAOYSA-N
MW231.06 g/mol
LogP2.38
Rot. Bonds

About 4-bromo-1-fluoro-2,3-dihydro-1H-inden-2-ol

4-bromo-1-fluoro-2,3-dihydro-1H-inden-2-ol (PubChem CID 14515301) has the molecular formula C9H8BrFO and a molecular weight of 231.06 g/mol. Its IUPAC name is 4-bromo-1-fluoro-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name4-bromo-1-fluoro-2,3-dihydro-1H-inden-2-ol
PubChem CID14515301
Molecular FormulaC9H8BrFO
Molecular Weight231.06 g/mol
Exact Mass229.97
IUPAC Name4-bromo-1-fluoro-2,3-dihydro-1H-inden-2-ol
SMILESOC1Cc2c(Br)cccc2C1F
InChIInChI=1S/C9H8BrFO/c10-7-3-1-2-5-6(7)4-8(12)9(5)11/h1-3,8-9,12H,4H2
InChIKeyHYALQCUAOVQTQD-UHFFFAOYSA-N
XLogP2.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.06
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-fluoro-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of 4-bromo-1-fluoro-2,3-dihydro-1H-inden-2-ol (CID 14515301) is 4-bromo-1-fluoro-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for 4-bromo-1-fluoro-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for 4-bromo-1-fluoro-2,3-dihydro-1H-inden-2-ol is OC1Cc2c(Br)cccc2C1F.
What is the InChIKey of 4-bromo-1-fluoro-2,3-dihydro-1H-inden-2-ol?
The InChIKey is HYALQCUAOVQTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFO/c10-7-3-1-2-5-6(7)4-8(12)9(5)11/h1-3,8-9,12H,4H2.
What are the key properties of 4-bromo-1-fluoro-2,3-dihydro-1H-inden-2-ol?
4-bromo-1-fluoro-2,3-dihydro-1H-inden-2-ol has a molecular weight of 231.06 g/mol, XLogP of 2.38, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-fluoro-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 14515301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).