1-[4-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one

C23H24ClF3N2O2 — CID 59492470

IUPAC1-[4-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCN(c2cc(Cl)c3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)CC1
InChIInChI=1S/C23H24ClF3N2O2/c1-21(2,3)20(30)29-10-8-28(9-11-29)14-12-17-19(18(24)13-14)15-6-4-5-7-16(15)22(17,31)23(25,26)27/h4-7,12-13,31H,8-11H2,1-3H3
InChIKeyIFDWUJHTRQAYAY-UHFFFAOYSA-N
MW452.90 g/mol
LogP4.81
Rot. Bonds1

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

1-[4-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 59492470) has the molecular formula C23H24ClF3N2O2 and a molecular weight of 452.90 g/mol. Its IUPAC name is 1-[4-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID59492470
Molecular FormulaC23H24ClF3N2O2
Molecular Weight452.90 g/mol
Exact Mass452.15
IUPAC Name1-[4-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCN(c2cc(Cl)c3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)CC1
InChIInChI=1S/C23H24ClF3N2O2/c1-21(2,3)20(30)29-10-8-28(9-11-29)14-12-17-19(18(24)13-14)15-6-4-5-7-16(15)22(17,31)23(25,26)27/h4-7,12-13,31H,8-11H2,1-3H3
InChIKeyIFDWUJHTRQAYAY-UHFFFAOYSA-N
XLogP4.81
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.90
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one (CID 59492470) is 1-[4-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCN(c2cc(Cl)c3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)CC1.
What is the InChIKey of 1-[4-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is IFDWUJHTRQAYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClF3N2O2/c1-21(2,3)20(30)29-10-8-28(9-11-29)14-12-17-19(18(24)13-14)15-6-4-5-7-16(15)22(17,31)23(25,26)27/h4-7,12-13,31H,8-11H2,1-3H3.
What are the key properties of 1-[4-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 452.90 g/mol, XLogP of 4.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 59492470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).