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

C20H19F3N2O3 — CID 59492644

IUPACmethyl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)CC1
InChIInChI=1S/C20H19F3N2O3/c1-28-18(26)25-10-8-24(9-11-25)13-6-7-15-14-4-2-3-5-16(14)19(27,17(15)12-13)20(21,22)23/h2-7,12,27H,8-11H2,1H3
InChIKeySAIUVBIPQYTNHD-UHFFFAOYSA-N
MW392.38 g/mol
LogP3.35
Rot. Bonds1

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

methyl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate (PubChem CID 59492644) has the molecular formula C20H19F3N2O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is methyl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate
PubChem CID59492644
Molecular FormulaC20H19F3N2O3
Molecular Weight392.38 g/mol
Exact Mass392.13
IUPAC Namemethyl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)CC1
InChIInChI=1S/C20H19F3N2O3/c1-28-18(26)25-10-8-24(9-11-25)13-6-7-15-14-4-2-3-5-16(14)19(27,17(15)12-13)20(21,22)23/h2-7,12,27H,8-11H2,1H3
InChIKeySAIUVBIPQYTNHD-UHFFFAOYSA-N
XLogP3.35
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Diethylamino-9-fluorenol
CID 224125
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
Tert-butyl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate
CID 59492520
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

Frequently Asked Questions

What is the IUPAC name of methyl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate?
The IUPAC name of methyl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate (CID 59492644) is methyl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate?
The canonical SMILES for methyl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate is COC(=O)N1CCN(c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)CC1.
What is the InChIKey of methyl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate?
The InChIKey is SAIUVBIPQYTNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O3/c1-28-18(26)25-10-8-24(9-11-25)13-6-7-15-14-4-2-3-5-16(14)19(27,17(15)12-13)20(21,22)23/h2-7,12,27H,8-11H2,1H3.
What are the key properties of methyl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate?
methyl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate has a molecular weight of 392.38 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate is sourced from PubChem (CID 59492644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).