(2R)-2-(4-fluorophenyl)-1-methyl-4-(trifluoromethylsulfonyl)piperazine

C12H14F4N2O2S — CID 145285160

IUPAC(2R)-2-(4-fluorophenyl)-1-methyl-4-(trifluoromethylsulfonyl)piperazine
SMILESCN1CCN(S(=O)(=O)C(F)(F)F)C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C12H14F4N2O2S/c1-17-6-7-18(21(19,20)12(14,15)16)8-11(17)9-2-4-10(13)5-3-9/h2-5,11H,6-8H2,1H3/t11-/m0/s1
InChIKeyXOGAQRIOWRVUFU-NSHDSACASA-N
MW326.32 g/mol
LogP1.96
Rot. Bonds2

About (2R)-2-(4-fluorophenyl)-1-methyl-4-(trifluoromethylsulfonyl)piperazine

(2R)-2-(4-fluorophenyl)-1-methyl-4-(trifluoromethylsulfonyl)piperazine (PubChem CID 145285160) has the molecular formula C12H14F4N2O2S and a molecular weight of 326.32 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)-1-methyl-4-(trifluoromethylsulfonyl)piperazine.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)-1-methyl-4-(trifluoromethylsulfonyl)piperazine
PubChem CID145285160
Molecular FormulaC12H14F4N2O2S
Molecular Weight326.32 g/mol
Exact Mass326.07
IUPAC Name(2R)-2-(4-fluorophenyl)-1-methyl-4-(trifluoromethylsulfonyl)piperazine
SMILESCN1CCN(S(=O)(=O)C(F)(F)F)C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C12H14F4N2O2S/c1-17-6-7-18(21(19,20)12(14,15)16)8-11(17)9-2-4-10(13)5-3-9/h2-5,11H,6-8H2,1H3/t11-/m0/s1
InChIKeyXOGAQRIOWRVUFU-NSHDSACASA-N
XLogP1.96
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)-1-methyl-4-(trifluoromethylsulfonyl)piperazine?
The IUPAC name of (2R)-2-(4-fluorophenyl)-1-methyl-4-(trifluoromethylsulfonyl)piperazine (CID 145285160) is (2R)-2-(4-fluorophenyl)-1-methyl-4-(trifluoromethylsulfonyl)piperazine.
What is the SMILES notation for (2R)-2-(4-fluorophenyl)-1-methyl-4-(trifluoromethylsulfonyl)piperazine?
The canonical SMILES for (2R)-2-(4-fluorophenyl)-1-methyl-4-(trifluoromethylsulfonyl)piperazine is CN1CCN(S(=O)(=O)C(F)(F)F)C[C@H]1c1ccc(F)cc1.
What is the InChIKey of (2R)-2-(4-fluorophenyl)-1-methyl-4-(trifluoromethylsulfonyl)piperazine?
The InChIKey is XOGAQRIOWRVUFU-NSHDSACASA-N. The full InChI is InChI=1S/C12H14F4N2O2S/c1-17-6-7-18(21(19,20)12(14,15)16)8-11(17)9-2-4-10(13)5-3-9/h2-5,11H,6-8H2,1H3/t11-/m0/s1.
What are the key properties of (2R)-2-(4-fluorophenyl)-1-methyl-4-(trifluoromethylsulfonyl)piperazine?
(2R)-2-(4-fluorophenyl)-1-methyl-4-(trifluoromethylsulfonyl)piperazine has a molecular weight of 326.32 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenyl)-1-methyl-4-(trifluoromethylsulfonyl)piperazine is sourced from PubChem (CID 145285160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).