4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide

C7H13F3N4 — CID 62967567

IUPAC4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C7H13F3N4/c8-7(9,10)5-13-1-3-14(4-2-13)6(11)12/h1-5H2,(H3,11,12)
InChIKeyVTQGGQJSTTXTPE-UHFFFAOYSA-N
MW210.20 g/mol
LogP0.06
Rot. Bonds1

About 4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide

4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide (PubChem CID 62967567) has the molecular formula C7H13F3N4 and a molecular weight of 210.20 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
PubChem CID62967567
Molecular FormulaC7H13F3N4
Molecular Weight210.20 g/mol
Exact Mass210.11
IUPAC Name4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C7H13F3N4/c8-7(9,10)5-13-1-3-14(4-2-13)6(11)12/h1-5H2,(H3,11,12)
InChIKeyVTQGGQJSTTXTPE-UHFFFAOYSA-N
XLogP0.06
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
The IUPAC name of 4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide (CID 62967567) is 4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide.
What is the SMILES notation for 4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
The canonical SMILES for 4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide is [H]/N=C(\N)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
The InChIKey is VTQGGQJSTTXTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N4/c8-7(9,10)5-13-1-3-14(4-2-13)6(11)12/h1-5H2,(H3,11,12).
What are the key properties of 4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide has a molecular weight of 210.20 g/mol, XLogP of 0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide is sourced from PubChem (CID 62967567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).