2,2,2-trifluoro-1-piperazin-1-ylethanone

C6H9F3N2O — CID 7172020

IUPAC2,2,2-trifluoro-1-piperazin-1-ylethanone
SMILESO=C(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C6H9F3N2O/c7-6(8,9)5(12)11-3-1-10-2-4-11/h10H,1-4H2
InChIKeyVCMQRVDQQAMQTJ-UHFFFAOYSA-N
MW182.14 g/mol
LogP-0.02
Rot. Bonds

About 2,2,2-trifluoro-1-piperazin-1-ylethanone

2,2,2-trifluoro-1-piperazin-1-ylethanone (PubChem CID 7172020) has the molecular formula C6H9F3N2O and a molecular weight of 182.14 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-piperazin-1-ylethanone
PubChem CID7172020
Molecular FormulaC6H9F3N2O
Molecular Weight182.14 g/mol
Exact Mass182.07
IUPAC Name2,2,2-trifluoro-1-piperazin-1-ylethanone
SMILESO=C(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C6H9F3N2O/c7-6(8,9)5(12)11-3-1-10-2-4-11/h10H,1-4H2
InChIKeyVCMQRVDQQAMQTJ-UHFFFAOYSA-N
XLogP-0.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-Amino-N-(2,2,2-trifluoroethyl)acetamide hydrochloride (1:1)
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1-(2,2,2-Trifluoroethyl)piperazin-2-one
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4-(2,2,2-Trifluoroethyl)piperazin-2-one
CID 67612876
N-(2-aminoethyl)-2,2-difluoroacetamide hydrochloride
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Trifluoroacetyl-piperazine-2-one
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CID 4216151

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-piperazin-1-ylethanone?
The IUPAC name of 2,2,2-trifluoro-1-piperazin-1-ylethanone (CID 7172020) is 2,2,2-trifluoro-1-piperazin-1-ylethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-piperazin-1-ylethanone?
The canonical SMILES for 2,2,2-trifluoro-1-piperazin-1-ylethanone is O=C(N1CCNCC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-piperazin-1-ylethanone?
The InChIKey is VCMQRVDQQAMQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O/c7-6(8,9)5(12)11-3-1-10-2-4-11/h10H,1-4H2.
What are the key properties of 2,2,2-trifluoro-1-piperazin-1-ylethanone?
2,2,2-trifluoro-1-piperazin-1-ylethanone has a molecular weight of 182.14 g/mol, XLogP of -0.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-piperazin-1-ylethanone is sourced from PubChem (CID 7172020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).