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

C21H13F3O3 — CID 59492705

IUPAC4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)cc1
InChIInChI=1S/C21H13F3O3/c22-21(23,24)20(27)17-4-2-1-3-15(17)16-10-9-14(11-18(16)20)12-5-7-13(8-6-12)19(25)26/h1-11,27H,(H,25,26)
InChIKeyAVODFHQFDZPLNW-UHFFFAOYSA-N
MW370.33 g/mol
LogP4.83
Rot. Bonds2

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

4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoic acid (PubChem CID 59492705) has the molecular formula C21H13F3O3 and a molecular weight of 370.33 g/mol. Its IUPAC name is 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoic acid
PubChem CID59492705
Molecular FormulaC21H13F3O3
Molecular Weight370.33 g/mol
Exact Mass370.08
IUPAC Name4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)cc1
InChIInChI=1S/C21H13F3O3/c22-21(23,24)20(27)17-4-2-1-3-15(17)16-10-9-14(11-18(16)20)12-5-7-13(8-6-12)19(25)26/h1-11,27H,(H,25,26)
InChIKeyAVODFHQFDZPLNW-UHFFFAOYSA-N
XLogP4.83
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoic acid?
The IUPAC name of 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoic acid (CID 59492705) is 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoic acid.
What is the SMILES notation for 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoic acid?
The canonical SMILES for 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoic acid is O=C(O)c1ccc(-c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)cc1.
What is the InChIKey of 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoic acid?
The InChIKey is AVODFHQFDZPLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F3O3/c22-21(23,24)20(27)17-4-2-1-3-15(17)16-10-9-14(11-18(16)20)12-5-7-13(8-6-12)19(25)26/h1-11,27H,(H,25,26).
What are the key properties of 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoic acid?
4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoic acid has a molecular weight of 370.33 g/mol, XLogP of 4.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoic acid is sourced from PubChem (CID 59492705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).