(3S,6R)-3-(1,1-difluoroethyl)-6-methylpiperazine-2,5-dione

C7H10F2N2O2 — CID 15736098

IUPAC(3S,6R)-3-(1,1-difluoroethyl)-6-methylpiperazine-2,5-dione
SMILESC[C@H]1NC(=O)[C@@H](C(C)(F)F)NC1=O
InChIInChI=1S/C7H10F2N2O2/c1-3-5(12)11-4(6(13)10-3)7(2,8)9/h3-4H,1-2H3,(H,10,13)(H,11,12)/t3-,4+/m1/s1
InChIKeyZBLIJZCRBUEUEO-DMTCNVIQSA-N
MW192.16 g/mol
LogP-0.36
Rot. Bonds1

About (3S,6R)-3-(1,1-difluoroethyl)-6-methylpiperazine-2,5-dione

(3S,6R)-3-(1,1-difluoroethyl)-6-methylpiperazine-2,5-dione (PubChem CID 15736098) has the molecular formula C7H10F2N2O2 and a molecular weight of 192.16 g/mol. Its IUPAC name is (3S,6R)-3-(1,1-difluoroethyl)-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3S,6R)-3-(1,1-difluoroethyl)-6-methylpiperazine-2,5-dione
PubChem CID15736098
Molecular FormulaC7H10F2N2O2
Molecular Weight192.16 g/mol
Exact Mass192.07
IUPAC Name(3S,6R)-3-(1,1-difluoroethyl)-6-methylpiperazine-2,5-dione
SMILESC[C@H]1NC(=O)[C@@H](C(C)(F)F)NC1=O
InChIInChI=1S/C7H10F2N2O2/c1-3-5(12)11-4(6(13)10-3)7(2,8)9/h3-4H,1-2H3,(H,10,13)(H,11,12)/t3-,4+/m1/s1
InChIKeyZBLIJZCRBUEUEO-DMTCNVIQSA-N
XLogP-0.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.16
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,6R)-3-(1,1-difluoroethyl)-6-methylpiperazine-2,5-dione?
The IUPAC name of (3S,6R)-3-(1,1-difluoroethyl)-6-methylpiperazine-2,5-dione (CID 15736098) is (3S,6R)-3-(1,1-difluoroethyl)-6-methylpiperazine-2,5-dione.
What is the SMILES notation for (3S,6R)-3-(1,1-difluoroethyl)-6-methylpiperazine-2,5-dione?
The canonical SMILES for (3S,6R)-3-(1,1-difluoroethyl)-6-methylpiperazine-2,5-dione is C[C@H]1NC(=O)[C@@H](C(C)(F)F)NC1=O.
What is the InChIKey of (3S,6R)-3-(1,1-difluoroethyl)-6-methylpiperazine-2,5-dione?
The InChIKey is ZBLIJZCRBUEUEO-DMTCNVIQSA-N. The full InChI is InChI=1S/C7H10F2N2O2/c1-3-5(12)11-4(6(13)10-3)7(2,8)9/h3-4H,1-2H3,(H,10,13)(H,11,12)/t3-,4+/m1/s1.
What are the key properties of (3S,6R)-3-(1,1-difluoroethyl)-6-methylpiperazine-2,5-dione?
(3S,6R)-3-(1,1-difluoroethyl)-6-methylpiperazine-2,5-dione has a molecular weight of 192.16 g/mol, XLogP of -0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-3-(1,1-difluoroethyl)-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 15736098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).