2-(4-bromo-6-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetic acid

C11H10BrFO3 — CID 11077081

IUPAC2-(4-bromo-6-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetic acid
SMILESO=C(O)CC1(O)CCc2c(Br)cc(F)cc21
InChIInChI=1S/C11H10BrFO3/c12-9-4-6(13)3-8-7(9)1-2-11(8,16)5-10(14)15/h3-4,16H,1-2,5H2,(H,14,15)
InChIKeyBMFNKYVLVZYURY-UHFFFAOYSA-N
MW289.10 g/mol
LogP2.20
Rot. Bonds2

About 2-(4-bromo-6-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetic acid

2-(4-bromo-6-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetic acid (PubChem CID 11077081) has the molecular formula C11H10BrFO3 and a molecular weight of 289.10 g/mol. Its IUPAC name is 2-(4-bromo-6-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-bromo-6-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetic acid
PubChem CID11077081
Molecular FormulaC11H10BrFO3
Molecular Weight289.10 g/mol
Exact Mass287.98
IUPAC Name2-(4-bromo-6-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetic acid
SMILESO=C(O)CC1(O)CCc2c(Br)cc(F)cc21
InChIInChI=1S/C11H10BrFO3/c12-9-4-6(13)3-8-7(9)1-2-11(8,16)5-10(14)15/h3-4,16H,1-2,5H2,(H,14,15)
InChIKeyBMFNKYVLVZYURY-UHFFFAOYSA-N
XLogP2.20
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.10
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-6-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetic acid?
The IUPAC name of 2-(4-bromo-6-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetic acid (CID 11077081) is 2-(4-bromo-6-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetic acid.
What is the SMILES notation for 2-(4-bromo-6-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetic acid?
The canonical SMILES for 2-(4-bromo-6-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetic acid is O=C(O)CC1(O)CCc2c(Br)cc(F)cc21.
What is the InChIKey of 2-(4-bromo-6-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetic acid?
The InChIKey is BMFNKYVLVZYURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFO3/c12-9-4-6(13)3-8-7(9)1-2-11(8,16)5-10(14)15/h3-4,16H,1-2,5H2,(H,14,15).
What are the key properties of 2-(4-bromo-6-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetic acid?
2-(4-bromo-6-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetic acid has a molecular weight of 289.10 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-6-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetic acid is sourced from PubChem (CID 11077081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).