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

C21H21F3N2O2 — CID 59493091

IUPAC1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)CC1
InChIInChI=1S/C21H21F3N2O2/c1-2-19(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
InChIKeyCRJWLOVRLODRMI-UHFFFAOYSA-N
MW390.41 g/mol
LogP3.52
Rot. Bonds2

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

1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]propan-1-one (PubChem CID 59493091) has the molecular formula C21H21F3N2O2 and a molecular weight of 390.41 g/mol. Its IUPAC name is 1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]propan-1-one
PubChem CID59493091
Molecular FormulaC21H21F3N2O2
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC Name1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)CC1
InChIInChI=1S/C21H21F3N2O2/c1-2-19(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
InChIKeyCRJWLOVRLODRMI-UHFFFAOYSA-N
XLogP3.52
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 53.52
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]ethanone
CID 59492766
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]propan-1-one?
The IUPAC name of 1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]propan-1-one (CID 59493091) is 1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]propan-1-one is CCC(=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]propan-1-one?
The InChIKey is CRJWLOVRLODRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O2/c1-2-19(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 1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]propan-1-one?
1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]propan-1-one has a molecular weight of 390.41 g/mol, XLogP of 3.52, 2 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]propan-1-one is sourced from PubChem (CID 59493091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).