(6R)-6-methyl-1-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-2-one

C8H13F3N2O — CID 130430312

IUPAC(6R)-6-methyl-1-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-2-one
SMILESC[C@@H]1CNCC(=O)N1[C@H](C)C(F)(F)F
InChIInChI=1S/C8H13F3N2O/c1-5-3-12-4-7(14)13(5)6(2)8(9,10)11/h5-6,12H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyPVSSVQNIHIDTIU-PHDIDXHHSA-N
MW210.20 g/mol
LogP0.76
Rot. Bonds1

About (6R)-6-methyl-1-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-2-one

(6R)-6-methyl-1-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-2-one (PubChem CID 130430312) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is (6R)-6-methyl-1-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-2-one.

Molecular Properties

Compound Name(6R)-6-methyl-1-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-2-one
PubChem CID130430312
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC Name(6R)-6-methyl-1-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-2-one
SMILESC[C@@H]1CNCC(=O)N1[C@H](C)C(F)(F)F
InChIInChI=1S/C8H13F3N2O/c1-5-3-12-4-7(14)13(5)6(2)8(9,10)11/h5-6,12H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyPVSSVQNIHIDTIU-PHDIDXHHSA-N
XLogP0.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-methyl-1-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-2-one?
The IUPAC name of (6R)-6-methyl-1-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-2-one (CID 130430312) is (6R)-6-methyl-1-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-2-one.
What is the SMILES notation for (6R)-6-methyl-1-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-2-one?
The canonical SMILES for (6R)-6-methyl-1-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-2-one is C[C@@H]1CNCC(=O)N1[C@H](C)C(F)(F)F.
What is the InChIKey of (6R)-6-methyl-1-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-2-one?
The InChIKey is PVSSVQNIHIDTIU-PHDIDXHHSA-N. The full InChI is InChI=1S/C8H13F3N2O/c1-5-3-12-4-7(14)13(5)6(2)8(9,10)11/h5-6,12H,3-4H2,1-2H3/t5-,6-/m1/s1.
What are the key properties of (6R)-6-methyl-1-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-2-one?
(6R)-6-methyl-1-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-2-one has a molecular weight of 210.20 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-methyl-1-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-2-one is sourced from PubChem (CID 130430312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).