methyl 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetate

C17H13F3O4 — CID 59493022

IUPACmethyl 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetate
SMILESCOC(=O)COc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C17H13F3O4/c1-23-15(21)9-24-10-6-7-12-11-4-2-3-5-13(11)16(22,14(12)8-10)17(18,19)20/h2-8,22H,9H2,1H3
InChIKeyHEEJJXMUDXTCEW-UHFFFAOYSA-N
MW338.28 g/mol
LogP3.02
Rot. Bonds3

About methyl 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetate

methyl 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetate (PubChem CID 59493022) has the molecular formula C17H13F3O4 and a molecular weight of 338.28 g/mol. Its IUPAC name is methyl 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetate
PubChem CID59493022
Molecular FormulaC17H13F3O4
Molecular Weight338.28 g/mol
Exact Mass338.08
IUPAC Namemethyl 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetate
SMILESCOC(=O)COc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C17H13F3O4/c1-23-15(21)9-24-10-6-7-12-11-4-2-3-5-13(11)16(22,14(12)8-10)17(18,19)20/h2-8,22H,9H2,1H3
InChIKeyHEEJJXMUDXTCEW-UHFFFAOYSA-N
XLogP3.02
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.28
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylacetamide
CID 59492675

Frequently Asked Questions

What is the IUPAC name of methyl 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetate?
The IUPAC name of methyl 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetate (CID 59493022) is methyl 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetate.
What is the SMILES notation for methyl 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetate?
The canonical SMILES for methyl 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetate is COC(=O)COc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of methyl 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetate?
The InChIKey is HEEJJXMUDXTCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3O4/c1-23-15(21)9-24-10-6-7-12-11-4-2-3-5-13(11)16(22,14(12)8-10)17(18,19)20/h2-8,22H,9H2,1H3.
What are the key properties of methyl 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetate?
methyl 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetate has a molecular weight of 338.28 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetate is sourced from PubChem (CID 59493022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).