1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-2,5-dione

C9H13F3N2O3 — CID 64874240

IUPAC1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-2,5-dione
SMILESO=C1CN(CCCOCC(F)(F)F)C(=O)CN1
InChIInChI=1S/C9H13F3N2O3/c10-9(11,12)6-17-3-1-2-14-5-7(15)13-4-8(14)16/h1-6H2,(H,13,15)
InChIKeyZWPOEWMNMSPNFV-UHFFFAOYSA-N
MW254.21 g/mol
LogP-0.09
Rot. Bonds5

About 1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-2,5-dione

1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-2,5-dione (PubChem CID 64874240) has the molecular formula C9H13F3N2O3 and a molecular weight of 254.21 g/mol. Its IUPAC name is 1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-2,5-dione.

Molecular Properties

Compound Name1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-2,5-dione
PubChem CID64874240
Molecular FormulaC9H13F3N2O3
Molecular Weight254.21 g/mol
Exact Mass254.09
IUPAC Name1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-2,5-dione
SMILESO=C1CN(CCCOCC(F)(F)F)C(=O)CN1
InChIInChI=1S/C9H13F3N2O3/c10-9(11,12)6-17-3-1-2-14-5-7(15)13-4-8(14)16/h1-6H2,(H,13,15)
InChIKeyZWPOEWMNMSPNFV-UHFFFAOYSA-N
XLogP-0.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N1-(2-morpholinoethyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 45585038
3,3-Dimethyl-4-[3-(2,2,3,3-tetrafluoropropoxy)propanoyl]piperazin-2-one
CID 121586878
2,2,3,3-tetrafluoro-N-(2-morpholin-4-ylethyl)propanamide
CID 3621093
2,2-difluoro-N-(2-morpholin-4-ylethyl)acetamide
CID 4348116
2,2,2-trifluoro-N-(2-morpholin-4-ylethyl)acetamide
CID 5198363
2,2,3,3,3-pentafluoro-N-(2-morpholin-4-ylethyl)propanamide
CID 58855413
2-(2-oxopiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 62310213
2,2-Difluoro-3-methoxy-1-piperazin-1-ylpropan-1-one
CID 121299282
2,2,2-trifluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide
CID 122605534
2-(ethylamino)-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone;molecular hydrogen
CID 168940437
N-propan-2-yl-2-[4-(3-propan-2-yloxypropyl)-2-(trifluoromethyl)piperazin-1-yl]acetamide
CID 170372041
N-propan-2-yl-2-[(2R)-4-(3-propan-2-yloxypropyl)-2-(trifluoromethyl)piperazin-1-yl]acetamide
CID 170372044

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-2,5-dione?
The IUPAC name of 1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-2,5-dione (CID 64874240) is 1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-2,5-dione.
What is the SMILES notation for 1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-2,5-dione?
The canonical SMILES for 1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-2,5-dione is O=C1CN(CCCOCC(F)(F)F)C(=O)CN1.
What is the InChIKey of 1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-2,5-dione?
The InChIKey is ZWPOEWMNMSPNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O3/c10-9(11,12)6-17-3-1-2-14-5-7(15)13-4-8(14)16/h1-6H2,(H,13,15).
What are the key properties of 1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-2,5-dione?
1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-2,5-dione has a molecular weight of 254.21 g/mol, XLogP of -0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-2,5-dione is sourced from PubChem (CID 64874240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).