methyl 9-hydroxy-4-methyl-9-(trifluoromethyl)fluorene-2-carboxylate

C17H13F3O3 — CID 59492634

IUPACmethyl 9-hydroxy-4-methyl-9-(trifluoromethyl)fluorene-2-carboxylate
SMILESCOC(=O)c1cc(C)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C17H13F3O3/c1-9-7-10(15(21)23-2)8-13-14(9)11-5-3-4-6-12(11)16(13,22)17(18,19)20/h3-8,22H,1-2H3
InChIKeyUAOBPBMJULNAHX-UHFFFAOYSA-N
MW322.28 g/mol
LogP3.56
Rot. Bonds1

About methyl 9-hydroxy-4-methyl-9-(trifluoromethyl)fluorene-2-carboxylate

methyl 9-hydroxy-4-methyl-9-(trifluoromethyl)fluorene-2-carboxylate (PubChem CID 59492634) has the molecular formula C17H13F3O3 and a molecular weight of 322.28 g/mol. Its IUPAC name is methyl 9-hydroxy-4-methyl-9-(trifluoromethyl)fluorene-2-carboxylate.

Molecular Properties

Compound Namemethyl 9-hydroxy-4-methyl-9-(trifluoromethyl)fluorene-2-carboxylate
PubChem CID59492634
Molecular FormulaC17H13F3O3
Molecular Weight322.28 g/mol
Exact Mass322.08
IUPAC Namemethyl 9-hydroxy-4-methyl-9-(trifluoromethyl)fluorene-2-carboxylate
SMILESCOC(=O)c1cc(C)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C17H13F3O3/c1-9-7-10(15(21)23-2)8-13-14(9)11-5-3-4-6-12(11)16(13,22)17(18,19)20/h3-8,22H,1-2H3
InChIKeyUAOBPBMJULNAHX-UHFFFAOYSA-N
XLogP3.56
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.28
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 9-hydroxy-4-methyl-9-(trifluoromethyl)fluorene-2-carboxylate?
The IUPAC name of methyl 9-hydroxy-4-methyl-9-(trifluoromethyl)fluorene-2-carboxylate (CID 59492634) is methyl 9-hydroxy-4-methyl-9-(trifluoromethyl)fluorene-2-carboxylate.
What is the SMILES notation for methyl 9-hydroxy-4-methyl-9-(trifluoromethyl)fluorene-2-carboxylate?
The canonical SMILES for methyl 9-hydroxy-4-methyl-9-(trifluoromethyl)fluorene-2-carboxylate is COC(=O)c1cc(C)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of methyl 9-hydroxy-4-methyl-9-(trifluoromethyl)fluorene-2-carboxylate?
The InChIKey is UAOBPBMJULNAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3O3/c1-9-7-10(15(21)23-2)8-13-14(9)11-5-3-4-6-12(11)16(13,22)17(18,19)20/h3-8,22H,1-2H3.
What are the key properties of methyl 9-hydroxy-4-methyl-9-(trifluoromethyl)fluorene-2-carboxylate?
methyl 9-hydroxy-4-methyl-9-(trifluoromethyl)fluorene-2-carboxylate has a molecular weight of 322.28 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-hydroxy-4-methyl-9-(trifluoromethyl)fluorene-2-carboxylate is sourced from PubChem (CID 59492634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).