propyl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate

C18H15F3O3 — CID 59493165

IUPACpropyl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate
SMILESCCCOC(=O)c1cccc2c1-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C18H15F3O3/c1-2-10-24-16(22)12-7-5-9-14-15(12)11-6-3-4-8-13(11)17(14,23)18(19,20)21/h3-9,23H,2,10H2,1H3
InChIKeyXMADOBIZRBYTDQ-UHFFFAOYSA-N
MW336.31 g/mol
LogP4.03
Rot. Bonds3

About propyl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate

propyl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate (PubChem CID 59493165) has the molecular formula C18H15F3O3 and a molecular weight of 336.31 g/mol. Its IUPAC name is propyl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate.

Molecular Properties

Compound Namepropyl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate
PubChem CID59493165
Molecular FormulaC18H15F3O3
Molecular Weight336.31 g/mol
Exact Mass336.10
IUPAC Namepropyl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate
SMILESCCCOC(=O)c1cccc2c1-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C18H15F3O3/c1-2-10-24-16(22)12-7-5-9-14-15(12)11-6-3-4-8-13(11)17(14,23)18(19,20)21/h3-9,23H,2,10H2,1H3
InChIKeyXMADOBIZRBYTDQ-UHFFFAOYSA-N
XLogP4.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propyl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate?
The IUPAC name of propyl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate (CID 59493165) is propyl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate.
What is the SMILES notation for propyl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate?
The canonical SMILES for propyl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate is CCCOC(=O)c1cccc2c1-c1ccccc1C2(O)C(F)(F)F.
What is the InChIKey of propyl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate?
The InChIKey is XMADOBIZRBYTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3O3/c1-2-10-24-16(22)12-7-5-9-14-15(12)11-6-3-4-8-13(11)17(14,23)18(19,20)21/h3-9,23H,2,10H2,1H3.
What are the key properties of propyl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate?
propyl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate has a molecular weight of 336.31 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate is sourced from PubChem (CID 59493165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).