6-bromo-4-fluoro-2-(2-hydroxyethyl)-2,3-dihydroinden-1-one

C11H10BrFO2 — CID 118421043

IUPAC6-bromo-4-fluoro-2-(2-hydroxyethyl)-2,3-dihydroinden-1-one
SMILESO=C1c2cc(Br)cc(F)c2CC1CCO
InChIInChI=1S/C11H10BrFO2/c12-7-4-9-8(10(13)5-7)3-6(1-2-14)11(9)15/h4-6,14H,1-3H2
InChIKeyDVXYORNPKDNGFG-UHFFFAOYSA-N
MW273.10 g/mol
LogP2.33
Rot. Bonds2

About 6-bromo-4-fluoro-2-(2-hydroxyethyl)-2,3-dihydroinden-1-one

6-bromo-4-fluoro-2-(2-hydroxyethyl)-2,3-dihydroinden-1-one (PubChem CID 118421043) has the molecular formula C11H10BrFO2 and a molecular weight of 273.10 g/mol. Its IUPAC name is 6-bromo-4-fluoro-2-(2-hydroxyethyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name6-bromo-4-fluoro-2-(2-hydroxyethyl)-2,3-dihydroinden-1-one
PubChem CID118421043
Molecular FormulaC11H10BrFO2
Molecular Weight273.10 g/mol
Exact Mass271.98
IUPAC Name6-bromo-4-fluoro-2-(2-hydroxyethyl)-2,3-dihydroinden-1-one
SMILESO=C1c2cc(Br)cc(F)c2CC1CCO
InChIInChI=1S/C11H10BrFO2/c12-7-4-9-8(10(13)5-7)3-6(1-2-14)11(9)15/h4-6,14H,1-3H2
InChIKeyDVXYORNPKDNGFG-UHFFFAOYSA-N
XLogP2.33
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.10
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-fluoro-2-(2-hydroxyethyl)-2,3-dihydroinden-1-one?
The IUPAC name of 6-bromo-4-fluoro-2-(2-hydroxyethyl)-2,3-dihydroinden-1-one (CID 118421043) is 6-bromo-4-fluoro-2-(2-hydroxyethyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 6-bromo-4-fluoro-2-(2-hydroxyethyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 6-bromo-4-fluoro-2-(2-hydroxyethyl)-2,3-dihydroinden-1-one is O=C1c2cc(Br)cc(F)c2CC1CCO.
What is the InChIKey of 6-bromo-4-fluoro-2-(2-hydroxyethyl)-2,3-dihydroinden-1-one?
The InChIKey is DVXYORNPKDNGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFO2/c12-7-4-9-8(10(13)5-7)3-6(1-2-14)11(9)15/h4-6,14H,1-3H2.
What are the key properties of 6-bromo-4-fluoro-2-(2-hydroxyethyl)-2,3-dihydroinden-1-one?
6-bromo-4-fluoro-2-(2-hydroxyethyl)-2,3-dihydroinden-1-one has a molecular weight of 273.10 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-fluoro-2-(2-hydroxyethyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 118421043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).