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

C9H8ClF3N2O2 — CID 115101436

IUPAC4-(5-chlorofuran-2-yl)-5-(trifluoromethyl)piperazin-2-one
SMILESO=C1CN(c2ccc(Cl)o2)C(C(F)(F)F)CN1
InChIInChI=1S/C9H8ClF3N2O2/c10-6-1-2-8(17-6)15-4-7(16)14-3-5(15)9(11,12)13/h1-2,5H,3-4H2,(H,14,16)
InChIKeyFXIOFSRIKQLUTD-UHFFFAOYSA-N
MW268.62 g/mol
LogP1.80
Rot. Bonds1

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

4-(5-chlorofuran-2-yl)-5-(trifluoromethyl)piperazin-2-one (PubChem CID 115101436) has the molecular formula C9H8ClF3N2O2 and a molecular weight of 268.62 g/mol. Its IUPAC name is 4-(5-chlorofuran-2-yl)-5-(trifluoromethyl)piperazin-2-one.

Molecular Properties

Compound Name4-(5-chlorofuran-2-yl)-5-(trifluoromethyl)piperazin-2-one
PubChem CID115101436
Molecular FormulaC9H8ClF3N2O2
Molecular Weight268.62 g/mol
Exact Mass268.02
IUPAC Name4-(5-chlorofuran-2-yl)-5-(trifluoromethyl)piperazin-2-one
SMILESO=C1CN(c2ccc(Cl)o2)C(C(F)(F)F)CN1
InChIInChI=1S/C9H8ClF3N2O2/c10-6-1-2-8(17-6)15-4-7(16)14-3-5(15)9(11,12)13/h1-2,5H,3-4H2,(H,14,16)
InChIKeyFXIOFSRIKQLUTD-UHFFFAOYSA-N
XLogP1.80
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.62
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 115101312
CID 115101312
CID 115101314
CID 115101314
CID 115101434
CID 115101434
CID 115101437
CID 115101437
CID 115101567
CID 115101567
CID 115101699
CID 115101699
CID 69024726
CID 69024726
CID 141040822
CID 141040822
CID 115100365
CID 115100365
CID 115100476
CID 115100476
CID 115100567
CID 115100567
CID 115100659
CID 115100659

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorofuran-2-yl)-5-(trifluoromethyl)piperazin-2-one?
The IUPAC name of 4-(5-chlorofuran-2-yl)-5-(trifluoromethyl)piperazin-2-one (CID 115101436) is 4-(5-chlorofuran-2-yl)-5-(trifluoromethyl)piperazin-2-one.
What is the SMILES notation for 4-(5-chlorofuran-2-yl)-5-(trifluoromethyl)piperazin-2-one?
The canonical SMILES for 4-(5-chlorofuran-2-yl)-5-(trifluoromethyl)piperazin-2-one is O=C1CN(c2ccc(Cl)o2)C(C(F)(F)F)CN1.
What is the InChIKey of 4-(5-chlorofuran-2-yl)-5-(trifluoromethyl)piperazin-2-one?
The InChIKey is FXIOFSRIKQLUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3N2O2/c10-6-1-2-8(17-6)15-4-7(16)14-3-5(15)9(11,12)13/h1-2,5H,3-4H2,(H,14,16).
What are the key properties of 4-(5-chlorofuran-2-yl)-5-(trifluoromethyl)piperazin-2-one?
4-(5-chlorofuran-2-yl)-5-(trifluoromethyl)piperazin-2-one has a molecular weight of 268.62 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorofuran-2-yl)-5-(trifluoromethyl)piperazin-2-one is sourced from PubChem (CID 115101436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).