2-(4-bromo-6-fluorooxy-2,3-dihydro-1H-inden-1-yl)acetic acid

C11H10BrFO3 — CID 67720113

IUPAC2-(4-bromo-6-fluorooxy-2,3-dihydro-1H-inden-1-yl)acetic acid
SMILESO=C(O)CC1CCc2c(Br)cc(OF)cc21
InChIInChI=1S/C11H10BrFO3/c12-10-5-7(16-13)4-9-6(3-11(14)15)1-2-8(9)10/h4-6H,1-3H2,(H,14,15)
InChIKeyHAGGFWQDJXCPKB-UHFFFAOYSA-N
MW289.10 g/mol
LogP3.22
Rot. Bonds3

About 2-(4-bromo-6-fluorooxy-2,3-dihydro-1H-inden-1-yl)acetic acid

2-(4-bromo-6-fluorooxy-2,3-dihydro-1H-inden-1-yl)acetic acid (PubChem CID 67720113) has the molecular formula C11H10BrFO3 and a molecular weight of 289.10 g/mol. Its IUPAC name is 2-(4-bromo-6-fluorooxy-2,3-dihydro-1H-inden-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-bromo-6-fluorooxy-2,3-dihydro-1H-inden-1-yl)acetic acid
PubChem CID67720113
Molecular FormulaC11H10BrFO3
Molecular Weight289.10 g/mol
Exact Mass287.98
IUPAC Name2-(4-bromo-6-fluorooxy-2,3-dihydro-1H-inden-1-yl)acetic acid
SMILESO=C(O)CC1CCc2c(Br)cc(OF)cc21
InChIInChI=1S/C11H10BrFO3/c12-10-5-7(16-13)4-9-6(3-11(14)15)1-2-8(9)10/h4-6H,1-3H2,(H,14,15)
InChIKeyHAGGFWQDJXCPKB-UHFFFAOYSA-N
XLogP3.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.10
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-6-fluorooxy-2,3-dihydro-1H-inden-1-yl)acetic acid?
The IUPAC name of 2-(4-bromo-6-fluorooxy-2,3-dihydro-1H-inden-1-yl)acetic acid (CID 67720113) is 2-(4-bromo-6-fluorooxy-2,3-dihydro-1H-inden-1-yl)acetic acid.
What is the SMILES notation for 2-(4-bromo-6-fluorooxy-2,3-dihydro-1H-inden-1-yl)acetic acid?
The canonical SMILES for 2-(4-bromo-6-fluorooxy-2,3-dihydro-1H-inden-1-yl)acetic acid is O=C(O)CC1CCc2c(Br)cc(OF)cc21.
What is the InChIKey of 2-(4-bromo-6-fluorooxy-2,3-dihydro-1H-inden-1-yl)acetic acid?
The InChIKey is HAGGFWQDJXCPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFO3/c12-10-5-7(16-13)4-9-6(3-11(14)15)1-2-8(9)10/h4-6H,1-3H2,(H,14,15).
What are the key properties of 2-(4-bromo-6-fluorooxy-2,3-dihydro-1H-inden-1-yl)acetic acid?
2-(4-bromo-6-fluorooxy-2,3-dihydro-1H-inden-1-yl)acetic acid has a molecular weight of 289.10 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-6-fluorooxy-2,3-dihydro-1H-inden-1-yl)acetic acid is sourced from PubChem (CID 67720113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).