propan-2-yl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate

C18H15F3O3 — CID 59492585

IUPACpropan-2-yl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate
SMILESCC(C)OC(=O)c1cccc2c1-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C18H15F3O3/c1-10(2)24-16(22)12-7-5-9-14-15(12)11-6-3-4-8-13(11)17(14,23)18(19,20)21/h3-10,23H,1-2H3
InChIKeyULVRUGWIWBSRQR-UHFFFAOYSA-N
MW336.31 g/mol
LogP4.03
Rot. Bonds2

About propan-2-yl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate

propan-2-yl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate (PubChem CID 59492585) has the molecular formula C18H15F3O3 and a molecular weight of 336.31 g/mol. Its IUPAC name is propan-2-yl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate
PubChem CID59492585
Molecular FormulaC18H15F3O3
Molecular Weight336.31 g/mol
Exact Mass336.10
IUPAC Namepropan-2-yl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate
SMILESCC(C)OC(=O)c1cccc2c1-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C18H15F3O3/c1-10(2)24-16(22)12-7-5-9-14-15(12)11-6-3-4-8-13(11)17(14,23)18(19,20)21/h3-10,23H,1-2H3
InChIKeyULVRUGWIWBSRQR-UHFFFAOYSA-N
XLogP4.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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 propan-2-yl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate?
The IUPAC name of propan-2-yl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate (CID 59492585) is propan-2-yl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate.
What is the SMILES notation for propan-2-yl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate?
The canonical SMILES for propan-2-yl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate is CC(C)OC(=O)c1cccc2c1-c1ccccc1C2(O)C(F)(F)F.
What is the InChIKey of propan-2-yl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate?
The InChIKey is ULVRUGWIWBSRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3O3/c1-10(2)24-16(22)12-7-5-9-14-15(12)11-6-3-4-8-13(11)17(14,23)18(19,20)21/h3-10,23H,1-2H3.
What are the key properties of propan-2-yl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate?
propan-2-yl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate has a molecular weight of 336.31 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate is sourced from PubChem (CID 59492585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).