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

C22H23F3N2O3 — CID 59493107

IUPACpropan-2-yl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate
SMILESCC(C)OC(=O)N1CCN(c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)CC1
InChIInChI=1S/C22H23F3N2O3/c1-14(2)30-20(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
InChIKeyOXKLOXKYKSQJDQ-UHFFFAOYSA-N
MW420.43 g/mol
LogP4.13
Rot. Bonds2

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

propan-2-yl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate (PubChem CID 59493107) has the molecular formula C22H23F3N2O3 and a molecular weight of 420.43 g/mol. Its IUPAC name is propan-2-yl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate
PubChem CID59493107
Molecular FormulaC22H23F3N2O3
Molecular Weight420.43 g/mol
Exact Mass420.17
IUPAC Namepropan-2-yl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate
SMILESCC(C)OC(=O)N1CCN(c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)CC1
InChIInChI=1S/C22H23F3N2O3/c1-14(2)30-20(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
InChIKeyOXKLOXKYKSQJDQ-UHFFFAOYSA-N
XLogP4.13
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate (CID 59493107) is propan-2-yl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate is CC(C)OC(=O)N1CCN(c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)CC1.
What is the InChIKey of propan-2-yl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate?
The InChIKey is OXKLOXKYKSQJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O3/c1-14(2)30-20(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 propan-2-yl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate?
propan-2-yl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate has a molecular weight of 420.43 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate is sourced from PubChem (CID 59493107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).