4-bromo-7-fluoro-2-methyl-2,3-dihydro-1H-inden-1-ol

C10H10BrFO — CID 86184620

IUPAC4-bromo-7-fluoro-2-methyl-2,3-dihydro-1H-inden-1-ol
SMILESCC1Cc2c(Br)ccc(F)c2C1O
InChIInChI=1S/C10H10BrFO/c1-5-4-6-7(11)2-3-8(12)9(6)10(5)13/h2-3,5,10,13H,4H2,1H3
InChIKeyBCRSOPOKUKCZFC-UHFFFAOYSA-N
MW245.09 g/mol
LogP2.81
Rot. Bonds

About 4-bromo-7-fluoro-2-methyl-2,3-dihydro-1H-inden-1-ol

4-bromo-7-fluoro-2-methyl-2,3-dihydro-1H-inden-1-ol (PubChem CID 86184620) has the molecular formula C10H10BrFO and a molecular weight of 245.09 g/mol. Its IUPAC name is 4-bromo-7-fluoro-2-methyl-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name4-bromo-7-fluoro-2-methyl-2,3-dihydro-1H-inden-1-ol
PubChem CID86184620
Molecular FormulaC10H10BrFO
Molecular Weight245.09 g/mol
Exact Mass243.99
IUPAC Name4-bromo-7-fluoro-2-methyl-2,3-dihydro-1H-inden-1-ol
SMILESCC1Cc2c(Br)ccc(F)c2C1O
InChIInChI=1S/C10H10BrFO/c1-5-4-6-7(11)2-3-8(12)9(6)10(5)13/h2-3,5,10,13H,4H2,1H3
InChIKeyBCRSOPOKUKCZFC-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 4-bromo-7-fluoro-2-methyl-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 4-bromo-7-fluoro-2-methyl-2,3-dihydro-1H-inden-1-ol (CID 86184620) is 4-bromo-7-fluoro-2-methyl-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 4-bromo-7-fluoro-2-methyl-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 4-bromo-7-fluoro-2-methyl-2,3-dihydro-1H-inden-1-ol is CC1Cc2c(Br)ccc(F)c2C1O.
What is the InChIKey of 4-bromo-7-fluoro-2-methyl-2,3-dihydro-1H-inden-1-ol?
The InChIKey is BCRSOPOKUKCZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO/c1-5-4-6-7(11)2-3-8(12)9(6)10(5)13/h2-3,5,10,13H,4H2,1H3.
What are the key properties of 4-bromo-7-fluoro-2-methyl-2,3-dihydro-1H-inden-1-ol?
4-bromo-7-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 4-bromo-7-fluoro-2-methyl-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 86184620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).