4-(furan-2-yl)-5-(trifluoromethyl)piperazin-2-one

C9H9F3N2O2 — CID 115101434

IUPAC4-(furan-2-yl)-5-(trifluoromethyl)piperazin-2-one
SMILESO=C1CN(c2ccco2)C(C(F)(F)F)CN1
InChIInChI=1S/C9H9F3N2O2/c10-9(11,12)6-4-13-7(15)5-14(6)8-2-1-3-16-8/h1-3,6H,4-5H2,(H,13,15)
InChIKeyBTLRKAAMSIKBEA-UHFFFAOYSA-N
MW234.18 g/mol
LogP1.15
Rot. Bonds1

About 4-(furan-2-yl)-5-(trifluoromethyl)piperazin-2-one

4-(furan-2-yl)-5-(trifluoromethyl)piperazin-2-one (PubChem CID 115101434) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is 4-(furan-2-yl)-5-(trifluoromethyl)piperazin-2-one.

Molecular Properties

Compound Name4-(furan-2-yl)-5-(trifluoromethyl)piperazin-2-one
PubChem CID115101434
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Name4-(furan-2-yl)-5-(trifluoromethyl)piperazin-2-one
SMILESO=C1CN(c2ccco2)C(C(F)(F)F)CN1
InChIInChI=1S/C9H9F3N2O2/c10-9(11,12)6-4-13-7(15)5-14(6)8-2-1-3-16-8/h1-3,6H,4-5H2,(H,13,15)
InChIKeyBTLRKAAMSIKBEA-UHFFFAOYSA-N
XLogP1.15
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 137657036
Furylpiperidine
CID 53956448
Allylfurylamine
CID 67975741
Furyl-acryloyl-glycyl-leucinamide
CID 69565047
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2,2,2-trifluoro-N-(furan-2-yl)acetamide
CID 88051620
N-(2-fluoroethyl)furan-2-amine
CID 141369242
4,4-Difluoro-1-(furan-2-yl)piperidine
CID 176206464
3,4,4-Trifluorobut-3-enyl 2-[4-(furan-2-yl)piperazin-1-yl]acetate
CID 177947518
N,N'-bis(furan-2-yl)ethane-1,2-diamine
CID 14274752
Furylcyclohexylamine
CID 129797347
Nitrofuranyl piperazine
CID 175672779
1-(Furan-2-yl)-2-(trifluoromethyl)piperazine
CID 115101312

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-5-(trifluoromethyl)piperazin-2-one?
The IUPAC name of 4-(furan-2-yl)-5-(trifluoromethyl)piperazin-2-one (CID 115101434) is 4-(furan-2-yl)-5-(trifluoromethyl)piperazin-2-one.
What is the SMILES notation for 4-(furan-2-yl)-5-(trifluoromethyl)piperazin-2-one?
The canonical SMILES for 4-(furan-2-yl)-5-(trifluoromethyl)piperazin-2-one is O=C1CN(c2ccco2)C(C(F)(F)F)CN1.
What is the InChIKey of 4-(furan-2-yl)-5-(trifluoromethyl)piperazin-2-one?
The InChIKey is BTLRKAAMSIKBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c10-9(11,12)6-4-13-7(15)5-14(6)8-2-1-3-16-8/h1-3,6H,4-5H2,(H,13,15).
What are the key properties of 4-(furan-2-yl)-5-(trifluoromethyl)piperazin-2-one?
4-(furan-2-yl)-5-(trifluoromethyl)piperazin-2-one has a molecular weight of 234.18 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-5-(trifluoromethyl)piperazin-2-one is sourced from PubChem (CID 115101434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).