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

C10H10BrFO — CID 79727010

IUPAC6-bromo-4-fluoro-2-methyl-2,3-dihydro-1H-inden-1-ol
SMILESCC1Cc2c(F)cc(Br)cc2C1O
InChIInChI=1S/C10H10BrFO/c1-5-2-7-8(10(5)13)3-6(11)4-9(7)12/h3-5,10,13H,2H2,1H3
InChIKeyZYJYWGPACFENBQ-UHFFFAOYSA-N
MW245.09 g/mol
LogP2.81
Rot. Bonds

About 6-bromo-4-fluoro-2-methyl-2,3-dihydro-1H-inden-1-ol

6-bromo-4-fluoro-2-methyl-2,3-dihydro-1H-inden-1-ol (PubChem CID 79727010) has the molecular formula C10H10BrFO and a molecular weight of 245.09 g/mol. Its IUPAC name is 6-bromo-4-fluoro-2-methyl-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name6-bromo-4-fluoro-2-methyl-2,3-dihydro-1H-inden-1-ol
PubChem CID79727010
Molecular FormulaC10H10BrFO
Molecular Weight245.09 g/mol
Exact Mass243.99
IUPAC Name6-bromo-4-fluoro-2-methyl-2,3-dihydro-1H-inden-1-ol
SMILESCC1Cc2c(F)cc(Br)cc2C1O
InChIInChI=1S/C10H10BrFO/c1-5-2-7-8(10(5)13)3-6(11)4-9(7)12/h3-5,10,13H,2H2,1H3
InChIKeyZYJYWGPACFENBQ-UHFFFAOYSA-N
XLogP2.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.09
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-fluoro-2-methyl-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 6-bromo-4-fluoro-2-methyl-2,3-dihydro-1H-inden-1-ol (CID 79727010) is 6-bromo-4-fluoro-2-methyl-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 6-bromo-4-fluoro-2-methyl-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 6-bromo-4-fluoro-2-methyl-2,3-dihydro-1H-inden-1-ol is CC1Cc2c(F)cc(Br)cc2C1O.
What is the InChIKey of 6-bromo-4-fluoro-2-methyl-2,3-dihydro-1H-inden-1-ol?
The InChIKey is ZYJYWGPACFENBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO/c1-5-2-7-8(10(5)13)3-6(11)4-9(7)12/h3-5,10,13H,2H2,1H3.
What are the key properties of 6-bromo-4-fluoro-2-methyl-2,3-dihydro-1H-inden-1-ol?
6-bromo-4-fluoro-2-methyl-2,3-dihydro-1H-inden-1-ol has a molecular weight of 245.09 g/mol, XLogP of 2.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-fluoro-2-methyl-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 79727010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).