ethyl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate

C21H21F3N2O3 — CID 59493060

IUPACethyl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)CC1
InChIInChI=1S/C21H21F3N2O3/c1-2-29-19(27)26-11-9-25(10-12-26)14-7-8-16-15-5-3-4-6-17(15)20(28,18(16)13-14)21(22,23)24/h3-8,13,28H,2,9-12H2,1H3
InChIKeyGEJCQCIAXYESFM-UHFFFAOYSA-N
MW406.40 g/mol
LogP3.74
Rot. Bonds2

About ethyl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate

ethyl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate (PubChem CID 59493060) has the molecular formula C21H21F3N2O3 and a molecular weight of 406.40 g/mol. Its IUPAC name is ethyl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate
PubChem CID59493060
Molecular FormulaC21H21F3N2O3
Molecular Weight406.40 g/mol
Exact Mass406.15
IUPAC Nameethyl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)CC1
InChIInChI=1S/C21H21F3N2O3/c1-2-29-19(27)26-11-9-25(10-12-26)14-7-8-16-15-5-3-4-6-17(15)20(28,18(16)13-14)21(22,23)24/h3-8,13,28H,2,9-12H2,1H3
InChIKeyGEJCQCIAXYESFM-UHFFFAOYSA-N
XLogP3.74
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.40
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate (CID 59493060) is ethyl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)CC1.
What is the InChIKey of ethyl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate?
The InChIKey is GEJCQCIAXYESFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O3/c1-2-29-19(27)26-11-9-25(10-12-26)14-7-8-16-15-5-3-4-6-17(15)20(28,18(16)13-14)21(22,23)24/h3-8,13,28H,2,9-12H2,1H3.
What are the key properties of ethyl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate?
ethyl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate has a molecular weight of 406.40 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate is sourced from PubChem (CID 59493060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).