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

C22H23F3N2O2 — CID 59492640

IUPAC1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCN(c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)CC1
InChIInChI=1S/C22H23F3N2O2/c1-14(2)20(28)27-11-9-26(10-12-27)15-7-8-17-16-5-3-4-6-18(16)21(29,19(17)13-15)22(23,24)25/h3-8,13-14,29H,9-12H2,1-2H3
InChIKeyQRZHITIZNLKOHF-UHFFFAOYSA-N
MW404.43 g/mol
LogP3.77
Rot. Bonds2

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

1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 59492640) has the molecular formula C22H23F3N2O2 and a molecular weight of 404.43 g/mol. Its IUPAC name is 1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]-2-methylpropan-1-one
PubChem CID59492640
Molecular FormulaC22H23F3N2O2
Molecular Weight404.43 g/mol
Exact Mass404.17
IUPAC Name1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCN(c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)CC1
InChIInChI=1S/C22H23F3N2O2/c1-14(2)20(28)27-11-9-26(10-12-27)15-7-8-17-16-5-3-4-6-18(16)21(29,19(17)13-15)22(23,24)25/h3-8,13-14,29H,9-12H2,1-2H3
InChIKeyQRZHITIZNLKOHF-UHFFFAOYSA-N
XLogP3.77
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]-2-methylpropan-1-one (CID 59492640) is 1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]-2-methylpropan-1-one is CC(C)C(=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]-2-methylpropan-1-one?
The InChIKey is QRZHITIZNLKOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O2/c1-14(2)20(28)27-11-9-26(10-12-27)15-7-8-17-16-5-3-4-6-18(16)21(29,19(17)13-15)22(23,24)25/h3-8,13-14,29H,9-12H2,1-2H3.
What are the key properties of 1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]-2-methylpropan-1-one?
1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 404.43 g/mol, XLogP of 3.77, 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]-2-methylpropan-1-one is sourced from PubChem (CID 59492640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).