methyl 2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetate

C17H12ClF3O4 — CID 59492703

IUPACmethyl 2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetate
SMILESCOC(=O)COc1cc(Cl)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C17H12ClF3O4/c1-24-14(22)8-25-9-6-12-15(13(18)7-9)10-4-2-3-5-11(10)16(12,23)17(19,20)21/h2-7,23H,8H2,1H3
InChIKeyBFROUFDSZGLRCL-UHFFFAOYSA-N
MW372.73 g/mol
LogP3.67
Rot. Bonds3

About methyl 2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetate

methyl 2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetate (PubChem CID 59492703) has the molecular formula C17H12ClF3O4 and a molecular weight of 372.73 g/mol. Its IUPAC name is methyl 2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetate
PubChem CID59492703
Molecular FormulaC17H12ClF3O4
Molecular Weight372.73 g/mol
Exact Mass372.04
IUPAC Namemethyl 2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetate
SMILESCOC(=O)COc1cc(Cl)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C17H12ClF3O4/c1-24-14(22)8-25-9-6-12-15(13(18)7-9)10-4-2-3-5-11(10)16(12,23)17(19,20)21/h2-7,23H,8H2,1H3
InChIKeyBFROUFDSZGLRCL-UHFFFAOYSA-N
XLogP3.67
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.73
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-Chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanoic acid
CID 59492709
4-Chloro-2-(5-hydroxypentoxy)-9-(trifluoromethyl)fluoren-9-ol
CID 59492741
2-[4-Chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide
CID 59492816
N-[2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-2-hydroxy-N-methylacetamide
CID 59492991
5-[4-Chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypentanoic acid
CID 59492993
4-[4-Chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanamide
CID 59493230
Methyl 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetate
CID 59493022
2-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropanoic acid
CID 91667400
2-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetic acid
CID 59492821
2-[[6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]acetic acid
CID 19807765
ethyl (RS)-6-(2-chloro-6-fluoro-4-trifluoromethylphenoxy)indan-1-yloxyacetate
CID 57014598
(4-Chloro-9-hydroxy-9-trifluoromethyl-9h-fluoren-2-yloxy)-acetic acid
CID 59492592

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetate?
The IUPAC name of methyl 2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetate (CID 59492703) is methyl 2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetate.
What is the SMILES notation for methyl 2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetate?
The canonical SMILES for methyl 2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetate is COC(=O)COc1cc(Cl)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of methyl 2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetate?
The InChIKey is BFROUFDSZGLRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3O4/c1-24-14(22)8-25-9-6-12-15(13(18)7-9)10-4-2-3-5-11(10)16(12,23)17(19,20)21/h2-7,23H,8H2,1H3.
What are the key properties of methyl 2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetate?
methyl 2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetate has a molecular weight of 372.73 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetate is sourced from PubChem (CID 59492703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).