(2S)-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide

C7H12F3N3O — CID 59108516

IUPAC(2S)-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
SMILESO=C(NCC(F)(F)F)[C@@H]1CNCCN1
InChIInChI=1S/C7H12F3N3O/c8-7(9,10)4-13-6(14)5-3-11-1-2-12-5/h5,11-12H,1-4H2,(H,13,14)/t5-/m0/s1
InChIKeyVTWKCMKBSSXKLS-YFKPBYRVSA-N
MW211.19 g/mol
LogP-0.77
Rot. Bonds2

About (2S)-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide

(2S)-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide (PubChem CID 59108516) has the molecular formula C7H12F3N3O and a molecular weight of 211.19 g/mol. Its IUPAC name is (2S)-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
PubChem CID59108516
Molecular FormulaC7H12F3N3O
Molecular Weight211.19 g/mol
Exact Mass211.09
IUPAC Name(2S)-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
SMILESO=C(NCC(F)(F)F)[C@@H]1CNCCN1
InChIInChI=1S/C7H12F3N3O/c8-7(9,10)4-13-6(14)5-3-11-1-2-12-5/h5,11-12H,1-4H2,(H,13,14)/t5-/m0/s1
InChIKeyVTWKCMKBSSXKLS-YFKPBYRVSA-N
XLogP-0.77
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?
The IUPAC name of (2S)-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide (CID 59108516) is (2S)-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?
The canonical SMILES for (2S)-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide is O=C(NCC(F)(F)F)[C@@H]1CNCCN1.
What is the InChIKey of (2S)-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?
The InChIKey is VTWKCMKBSSXKLS-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H12F3N3O/c8-7(9,10)4-13-6(14)5-3-11-1-2-12-5/h5,11-12H,1-4H2,(H,13,14)/t5-/m0/s1.
What are the key properties of (2S)-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?
(2S)-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide has a molecular weight of 211.19 g/mol, XLogP of -0.77, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide is sourced from PubChem (CID 59108516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).