4-(trifluoromethyl)piperazin-2-one

C5H7F3N2O — CID 70299299

IUPAC4-(trifluoromethyl)piperazin-2-one
SMILESO=C1CN(C(F)(F)F)CCN1
InChIInChI=1S/C5H7F3N2O/c6-5(7,8)10-2-1-9-4(11)3-10/h1-3H2,(H,9,11)
InChIKeyLVRKXGFWWOGVSY-UHFFFAOYSA-N
MW168.12 g/mol
LogP-0.06
Rot. Bonds

About 4-(trifluoromethyl)piperazin-2-one

4-(trifluoromethyl)piperazin-2-one (PubChem CID 70299299) has the molecular formula C5H7F3N2O and a molecular weight of 168.12 g/mol. Its IUPAC name is 4-(trifluoromethyl)piperazin-2-one.

Molecular Properties

Compound Name4-(trifluoromethyl)piperazin-2-one
PubChem CID70299299
Molecular FormulaC5H7F3N2O
Molecular Weight168.12 g/mol
Exact Mass168.05
IUPAC Name4-(trifluoromethyl)piperazin-2-one
SMILESO=C1CN(C(F)(F)F)CCN1
InChIInChI=1S/C5H7F3N2O/c6-5(7,8)10-2-1-9-4(11)3-10/h1-3H2,(H,9,11)
InChIKeyLVRKXGFWWOGVSY-UHFFFAOYSA-N
XLogP-0.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.12
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)piperazin-2-one?
The IUPAC name of 4-(trifluoromethyl)piperazin-2-one (CID 70299299) is 4-(trifluoromethyl)piperazin-2-one.
What is the SMILES notation for 4-(trifluoromethyl)piperazin-2-one?
The canonical SMILES for 4-(trifluoromethyl)piperazin-2-one is O=C1CN(C(F)(F)F)CCN1.
What is the InChIKey of 4-(trifluoromethyl)piperazin-2-one?
The InChIKey is LVRKXGFWWOGVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N2O/c6-5(7,8)10-2-1-9-4(11)3-10/h1-3H2,(H,9,11).
What are the key properties of 4-(trifluoromethyl)piperazin-2-one?
4-(trifluoromethyl)piperazin-2-one has a molecular weight of 168.12 g/mol, XLogP of -0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)piperazin-2-one is sourced from PubChem (CID 70299299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).