1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]ethanone

C20H19F3N2O2 — CID 59492766

IUPAC1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)CC1
InChIInChI=1S/C20H19F3N2O2/c1-13(26)24-8-10-25(11-9-24)14-6-7-16-15-4-2-3-5-17(15)19(27,18(16)12-14)20(21,22)23/h2-7,12,27H,8-11H2,1H3
InChIKeyVWNNPIQREZYJIA-UHFFFAOYSA-N
MW376.38 g/mol
LogP3.13
Rot. Bonds1

About 1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]ethanone

1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]ethanone (PubChem CID 59492766) has the molecular formula C20H19F3N2O2 and a molecular weight of 376.38 g/mol. Its IUPAC name is 1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]ethanone
PubChem CID59492766
Molecular FormulaC20H19F3N2O2
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC Name1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)CC1
InChIInChI=1S/C20H19F3N2O2/c1-13(26)24-8-10-25(11-9-24)14-6-7-16-15-4-2-3-5-17(15)19(27,18(16)12-14)20(21,22)23/h2-7,12,27H,8-11H2,1H3
InChIKeyVWNNPIQREZYJIA-UHFFFAOYSA-N
XLogP3.13
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Propionanilide, N-(1-(4-hydroxy-4-(alpha,alpha,alpha-trifluoro-m-tolyl)piperidino)-2-propyl)-, hydrochloride
CID 380231
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]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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]ethanone (CID 59492766) is 1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)CC1.
What is the InChIKey of 1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]ethanone?
The InChIKey is VWNNPIQREZYJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O2/c1-13(26)24-8-10-25(11-9-24)14-6-7-16-15-4-2-3-5-17(15)19(27,18(16)12-14)20(21,22)23/h2-7,12,27H,8-11H2,1H3.
What are the key properties of 1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]ethanone?
1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]ethanone has a molecular weight of 376.38 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 59492766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).