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

C17H13F3O4 — CID 91667400

IUPAC2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropanoic acid
SMILESCC(Oc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)C(=O)O
InChIInChI=1S/C17H13F3O4/c1-9(15(21)22)24-10-6-7-12-11-4-2-3-5-13(11)16(23,14(12)8-10)17(18,19)20/h2-9,23H,1H3,(H,21,22)
InChIKeyHEKYOLAMWWWYBE-UHFFFAOYSA-N
MW338.28 g/mol
LogP3.32
Rot. Bonds3

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

2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropanoic acid (PubChem CID 91667400) has the molecular formula C17H13F3O4 and a molecular weight of 338.28 g/mol. Its IUPAC name is 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropanoic acid.

Molecular Properties

Compound Name2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropanoic acid
PubChem CID91667400
Molecular FormulaC17H13F3O4
Molecular Weight338.28 g/mol
Exact Mass338.08
IUPAC Name2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropanoic acid
SMILESCC(Oc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)C(=O)O
InChIInChI=1S/C17H13F3O4/c1-9(15(21)22)24-10-6-7-12-11-4-2-3-5-13(11)16(23,14(12)8-10)17(18,19)20/h2-9,23H,1H3,(H,21,22)
InChIKeyHEKYOLAMWWWYBE-UHFFFAOYSA-N
XLogP3.32
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.28
LogP ≤ 53.32
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-Ethoxy-3-{4-[2-(9H-fluoren-9-yl)-ethoxy]-phenyl}-propionic acid
CID 9844059
2-(4-Hydroxybutoxy)-9-(trifluoromethyl)fluoren-9-ol
CID 59492658
MR 714
CID 128645
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

Frequently Asked Questions

What is the IUPAC name of 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropanoic acid?
The IUPAC name of 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropanoic acid (CID 91667400) is 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropanoic acid.
What is the SMILES notation for 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropanoic acid?
The canonical SMILES for 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropanoic acid is CC(Oc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)C(=O)O.
What is the InChIKey of 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropanoic acid?
The InChIKey is HEKYOLAMWWWYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3O4/c1-9(15(21)22)24-10-6-7-12-11-4-2-3-5-13(11)16(23,14(12)8-10)17(18,19)20/h2-9,23H,1H3,(H,21,22).
What are the key properties of 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropanoic acid?
2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropanoic acid has a molecular weight of 338.28 g/mol, XLogP of 3.32, 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]oxypropanoic acid is sourced from PubChem (CID 91667400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).