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

C16H11F3O4 — CID 59492821

IUPAC2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetic acid
SMILESO=C(O)COc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C16H11F3O4/c17-16(18,19)15(22)12-4-2-1-3-10(12)11-6-5-9(7-13(11)15)23-8-14(20)21/h1-7,22H,8H2,(H,20,21)
InChIKeyRWSUSPJSVOJTOR-UHFFFAOYSA-N
MW324.25 g/mol
LogP2.93
Rot. Bonds3

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

2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetic acid (PubChem CID 59492821) has the molecular formula C16H11F3O4 and a molecular weight of 324.25 g/mol. Its IUPAC name is 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetic acid
PubChem CID59492821
Molecular FormulaC16H11F3O4
Molecular Weight324.25 g/mol
Exact Mass324.06
IUPAC Name2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetic acid
SMILESO=C(O)COc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C16H11F3O4/c17-16(18,19)15(22)12-4-2-1-3-10(12)11-6-5-9(7-13(11)15)23-8-14(20)21/h1-7,22H,8H2,(H,20,21)
InChIKeyRWSUSPJSVOJTOR-UHFFFAOYSA-N
XLogP2.93
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.25
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Acetic acid, ((2,3-dihydro-1H-inden-5-yl)oxy)-
CID 15878
2-[(1S)-5-{3-[4-(trifluoromethyl)phenoxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 16110419
2-[(1S)-5-{3-[4-(trifluoromethoxy)phenoxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 16110512
2-(4-Hydroxybutoxy)-9-(trifluoromethyl)fluoren-9-ol
CID 59492658
2-[4-[(4-Hydroxyphenyl)methyl]-3,5-dimethylphenoxy]acetic acid
CID 162661242
4-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanoic acid
CID 59492679
Ethyl 5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypentanoate
CID 59492500
2-Hexoxy-9-(trifluoromethyl)fluoren-9-ol
CID 59492533
2-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide
CID 59492583
5-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypentanoic acid
CID 59492626
2-Butoxy-9-(trifluoromethyl)fluoren-9-ol
CID 59492669
(4-Chloro-9-hydroxy-9-trifluoromethyl-9h-fluoren-2-yloxy)-acetic acid methyl ester
CID 59492703

Frequently Asked Questions

What is the IUPAC name of 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetic acid?
The IUPAC name of 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetic acid (CID 59492821) is 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetic acid.
What is the SMILES notation for 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetic acid?
The canonical SMILES for 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetic acid is O=C(O)COc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetic acid?
The InChIKey is RWSUSPJSVOJTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3O4/c17-16(18,19)15(22)12-4-2-1-3-10(12)11-6-5-9(7-13(11)15)23-8-14(20)21/h1-7,22H,8H2,(H,20,21).
What are the key properties of 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetic acid?
2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetic acid has a molecular weight of 324.25 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetic acid is sourced from PubChem (CID 59492821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).