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

C23H25F3N2O3 — CID 59492520

IUPACtert-butyl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)CC1
InChIInChI=1S/C23H25F3N2O3/c1-21(2,3)31-20(29)28-12-10-27(11-13-28)15-8-9-17-16-6-4-5-7-18(16)22(30,19(17)14-15)23(24,25)26/h4-9,14,30H,10-13H2,1-3H3
InChIKeyQFSPZWDOELGLQK-UHFFFAOYSA-N
MW434.46 g/mol
LogP4.52
Rot. Bonds1

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

tert-butyl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate (PubChem CID 59492520) has the molecular formula C23H25F3N2O3 and a molecular weight of 434.46 g/mol. Its IUPAC name is tert-butyl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate
PubChem CID59492520
Molecular FormulaC23H25F3N2O3
Molecular Weight434.46 g/mol
Exact Mass434.18
IUPAC Nametert-butyl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)CC1
InChIInChI=1S/C23H25F3N2O3/c1-21(2,3)31-20(29)28-12-10-27(11-13-28)15-8-9-17-16-6-4-5-7-18(16)22(30,19(17)14-15)23(24,25)26/h4-9,14,30H,10-13H2,1-3H3
InChIKeyQFSPZWDOELGLQK-UHFFFAOYSA-N
XLogP4.52
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]pyrrolidin-2-one
CID 59492795
1-[4-[4-Chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 59492470
1-[4-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 59492640
1-[4-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]ethanone
CID 59492766
1-[4-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]propan-1-one
CID 59493091
1-[4-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 59493106
Propan-2-yl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate
CID 59493107
1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylpiperidine-4-carboxamide
CID 59492480
2-Morpholin-4-yl-9-(trifluoromethyl)fluoren-9-ol
CID 59492506
2-Piperazin-1-yl-9-(trifluoromethyl)fluoren-9-ol
CID 59492534
2-Pyrrolidin-1-yl-9-(trifluoromethyl)fluoren-9-ol
CID 59492541
2-(2-Methylpyrrolidin-1-yl)-9-(trifluoromethyl)fluoren-9-ol
CID 59492618

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate (CID 59492520) is tert-butyl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)CC1.
What is the InChIKey of tert-butyl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate?
The InChIKey is QFSPZWDOELGLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N2O3/c1-21(2,3)31-20(29)28-12-10-27(11-13-28)15-8-9-17-16-6-4-5-7-18(16)22(30,19(17)14-15)23(24,25)26/h4-9,14,30H,10-13H2,1-3H3.
What are the key properties of tert-butyl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate?
tert-butyl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate has a molecular weight of 434.46 g/mol, XLogP of 4.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate is sourced from PubChem (CID 59492520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).