3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoic acid

C21H13F3O3 — CID 59493131

IUPAC3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoic acid
SMILESO=C(O)c1cccc(-c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)c1
InChIInChI=1S/C21H13F3O3/c22-21(23,24)20(27)17-7-2-1-6-15(17)16-9-8-13(11-18(16)20)12-4-3-5-14(10-12)19(25)26/h1-11,27H,(H,25,26)
InChIKeyUIOCSAZLSXQDLB-UHFFFAOYSA-N
MW370.33 g/mol
LogP4.83
Rot. Bonds2

About 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoic acid

3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoic acid (PubChem CID 59493131) has the molecular formula C21H13F3O3 and a molecular weight of 370.33 g/mol. Its IUPAC name is 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoic acid.

Molecular Properties

Compound Name3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoic acid
PubChem CID59493131
Molecular FormulaC21H13F3O3
Molecular Weight370.33 g/mol
Exact Mass370.08
IUPAC Name3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoic acid
SMILESO=C(O)c1cccc(-c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)c1
InChIInChI=1S/C21H13F3O3/c22-21(23,24)20(27)17-7-2-1-6-15(17)16-9-8-13(11-18(16)20)12-4-3-5-14(10-12)19(25)26/h1-11,27H,(H,25,26)
InChIKeyUIOCSAZLSXQDLB-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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Related Compounds

3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzamide
CID 59492649
2-(4-fluorophenyl)-9-(trifluoromethyl)fluoren-9-ol
CID 59492604
1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]phenyl]propan-1-one
CID 149259882
2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide
CID 59492546
3-phenylbenzoic acid;4-phenylbenzoic acid
CID 161256783
3-[3-(3-carboxyphenyl)phenyl]benzoic acid
CID 12023925
9,9-dimethyl-2-[3-[3-[3-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]fluorene
CID 142555556
azetidin-1-yl-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone
CID 59492809
3-(3-chloro-4-phenylphenyl)benzoic acid
CID 68550089
3-(4-carboxyphenyl)benzoic acid
CID 11550488
4-chloro-2-phenyl-9-(trifluoromethyl)fluoren-9-ol
CID 70902688
3-(2-hydroxyphenyl)benzoic acid;hydrochloride
CID 174448662

Frequently Asked Questions

What is the IUPAC name of 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoic acid?
The IUPAC name of 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoic acid (CID 59493131) is 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoic acid.
What is the SMILES notation for 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoic acid?
The canonical SMILES for 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoic acid is O=C(O)c1cccc(-c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)c1.
What is the InChIKey of 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoic acid?
The InChIKey is UIOCSAZLSXQDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F3O3/c22-21(23,24)20(27)17-7-2-1-6-15(17)16-9-8-13(11-18(16)20)12-4-3-5-14(10-12)19(25)26/h1-11,27H,(H,25,26).
What are the key properties of 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoic acid?
3-[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 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoic acid is sourced from PubChem (CID 59493131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).