2-[4-bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetic acid

C16H10BrF3O4 — CID 59492997

IUPAC2-[4-bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetic acid
SMILESO=C(O)COc1cc(Br)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C16H10BrF3O4/c17-12-6-8(24-7-13(21)22)5-11-14(12)9-3-1-2-4-10(9)15(11,23)16(18,19)20/h1-6,23H,7H2,(H,21,22)
InChIKeyASJMJHKZNGGWOP-UHFFFAOYSA-N
MW403.15 g/mol
LogP3.69
Rot. Bonds3

About 2-[4-bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetic acid

2-[4-bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetic acid (PubChem CID 59492997) has the molecular formula C16H10BrF3O4 and a molecular weight of 403.15 g/mol. Its IUPAC name is 2-[4-bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[4-bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetic acid
PubChem CID59492997
Molecular FormulaC16H10BrF3O4
Molecular Weight403.15 g/mol
Exact Mass401.97
IUPAC Name2-[4-bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetic acid
SMILESO=C(O)COc1cc(Br)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C16H10BrF3O4/c17-12-6-8(24-7-13(21)22)5-11-14(12)9-3-1-2-4-10(9)15(11,23)16(18,19)20/h1-6,23H,7H2,(H,21,22)
InChIKeyASJMJHKZNGGWOP-UHFFFAOYSA-N
XLogP3.69
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.15
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetic acid?
The IUPAC name of 2-[4-bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetic acid (CID 59492997) is 2-[4-bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetic acid.
What is the SMILES notation for 2-[4-bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetic acid?
The canonical SMILES for 2-[4-bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetic acid is O=C(O)COc1cc(Br)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 2-[4-bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetic acid?
The InChIKey is ASJMJHKZNGGWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrF3O4/c17-12-6-8(24-7-13(21)22)5-11-14(12)9-3-1-2-4-10(9)15(11,23)16(18,19)20/h1-6,23H,7H2,(H,21,22).
What are the key properties of 2-[4-bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetic acid?
2-[4-bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetic acid has a molecular weight of 403.15 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetic acid is sourced from PubChem (CID 59492997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).