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

C17H13F3O3 — CID 59492529

IUPACmethyl 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]acetate
SMILESCOC(=O)Cc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C17H13F3O3/c1-23-15(21)9-10-6-7-12-11-4-2-3-5-13(11)16(22,14(12)8-10)17(18,19)20/h2-8,22H,9H2,1H3
InChIKeyLIOHWVXGAKGYIG-UHFFFAOYSA-N
MW322.28 g/mol
LogP3.18
Rot. Bonds2

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

methyl 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]acetate (PubChem CID 59492529) has the molecular formula C17H13F3O3 and a molecular weight of 322.28 g/mol. Its IUPAC name is methyl 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]acetate
PubChem CID59492529
Molecular FormulaC17H13F3O3
Molecular Weight322.28 g/mol
Exact Mass322.08
IUPAC Namemethyl 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]acetate
SMILESCOC(=O)Cc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C17H13F3O3/c1-23-15(21)9-10-6-7-12-11-4-2-3-5-13(11)16(22,14(12)8-10)17(18,19)20/h2-8,22H,9H2,1H3
InChIKeyLIOHWVXGAKGYIG-UHFFFAOYSA-N
XLogP3.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.28
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]acetate?
The IUPAC name of methyl 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]acetate (CID 59492529) is methyl 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]acetate.
What is the SMILES notation for methyl 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]acetate?
The canonical SMILES for methyl 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]acetate is COC(=O)Cc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of methyl 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]acetate?
The InChIKey is LIOHWVXGAKGYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3O3/c1-23-15(21)9-10-6-7-12-11-4-2-3-5-13(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]acetate?
methyl 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]acetate has a molecular weight of 322.28 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]acetate is sourced from PubChem (CID 59492529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).