1-bromo-6-fluoro-2,3-dihydroinden-1-ol

C9H8BrFO — CID 174726827

IUPAC1-bromo-6-fluoro-2,3-dihydroinden-1-ol
SMILESOC1(Br)CCc2ccc(F)cc21
InChIInChI=1S/C9H8BrFO/c10-9(12)4-3-6-1-2-7(11)5-8(6)9/h1-2,5,12H,3-4H2
InChIKeyQJAGMQFYNGEFDI-UHFFFAOYSA-N
MW231.06 g/mol
LogP2.31
Rot. Bonds

About 1-bromo-6-fluoro-2,3-dihydroinden-1-ol

1-bromo-6-fluoro-2,3-dihydroinden-1-ol (PubChem CID 174726827) has the molecular formula C9H8BrFO and a molecular weight of 231.06 g/mol. Its IUPAC name is 1-bromo-6-fluoro-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-bromo-6-fluoro-2,3-dihydroinden-1-ol
PubChem CID174726827
Molecular FormulaC9H8BrFO
Molecular Weight231.06 g/mol
Exact Mass229.97
IUPAC Name1-bromo-6-fluoro-2,3-dihydroinden-1-ol
SMILESOC1(Br)CCc2ccc(F)cc21
InChIInChI=1S/C9H8BrFO/c10-9(12)4-3-6-1-2-7(11)5-8(6)9/h1-2,5,12H,3-4H2
InChIKeyQJAGMQFYNGEFDI-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-6-fluoro-2,3-dihydroinden-1-ol?
The IUPAC name of 1-bromo-6-fluoro-2,3-dihydroinden-1-ol (CID 174726827) is 1-bromo-6-fluoro-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-bromo-6-fluoro-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-bromo-6-fluoro-2,3-dihydroinden-1-ol is OC1(Br)CCc2ccc(F)cc21.
What is the InChIKey of 1-bromo-6-fluoro-2,3-dihydroinden-1-ol?
The InChIKey is QJAGMQFYNGEFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFO/c10-9(12)4-3-6-1-2-7(11)5-8(6)9/h1-2,5,12H,3-4H2.
What are the key properties of 1-bromo-6-fluoro-2,3-dihydroinden-1-ol?
1-bromo-6-fluoro-2,3-dihydroinden-1-ol has a molecular weight of 231.06 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-6-fluoro-2,3-dihydroinden-1-ol is sourced from PubChem (CID 174726827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).