N-tert-butyl-N'-(1,1,1-trifluoropropan-2-yl)ethanimidamide

C9H17F3N2 — CID 168742284

IUPACN-tert-butyl-N'-(1,1,1-trifluoropropan-2-yl)ethanimidamide
SMILESC/C(=N\C(C)C(F)(F)F)NC(C)(C)C
InChIInChI=1S/C9H17F3N2/c1-6(9(10,11)12)13-7(2)14-8(3,4)5/h6H,1-5H3,(H,13,14)
InChIKeyUGHDZUAHWGEAMF-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.74
Rot. Bonds1

About N-tert-butyl-N'-(1,1,1-trifluoropropan-2-yl)ethanimidamide

N-tert-butyl-N'-(1,1,1-trifluoropropan-2-yl)ethanimidamide (PubChem CID 168742284) has the molecular formula C9H17F3N2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N-tert-butyl-N'-(1,1,1-trifluoropropan-2-yl)ethanimidamide.

Molecular Properties

Compound NameN-tert-butyl-N'-(1,1,1-trifluoropropan-2-yl)ethanimidamide
PubChem CID168742284
Molecular FormulaC9H17F3N2
Molecular Weight210.24 g/mol
Exact Mass210.13
IUPAC NameN-tert-butyl-N'-(1,1,1-trifluoropropan-2-yl)ethanimidamide
SMILESC/C(=N\C(C)C(F)(F)F)NC(C)(C)C
InChIInChI=1S/C9H17F3N2/c1-6(9(10,11)12)13-7(2)14-8(3,4)5/h6H,1-5H3,(H,13,14)
InChIKeyUGHDZUAHWGEAMF-UHFFFAOYSA-N
XLogP2.74
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-tert-butyl-N'-(1,1,1-trifluoropropan-2-yl)ethanimidamide?
The IUPAC name of N-tert-butyl-N'-(1,1,1-trifluoropropan-2-yl)ethanimidamide (CID 168742284) is N-tert-butyl-N'-(1,1,1-trifluoropropan-2-yl)ethanimidamide.
What is the SMILES notation for N-tert-butyl-N'-(1,1,1-trifluoropropan-2-yl)ethanimidamide?
The canonical SMILES for N-tert-butyl-N'-(1,1,1-trifluoropropan-2-yl)ethanimidamide is C/C(=N\C(C)C(F)(F)F)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-N'-(1,1,1-trifluoropropan-2-yl)ethanimidamide?
The InChIKey is UGHDZUAHWGEAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2/c1-6(9(10,11)12)13-7(2)14-8(3,4)5/h6H,1-5H3,(H,13,14).
What are the key properties of N-tert-butyl-N'-(1,1,1-trifluoropropan-2-yl)ethanimidamide?
N-tert-butyl-N'-(1,1,1-trifluoropropan-2-yl)ethanimidamide has a molecular weight of 210.24 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-(1,1,1-trifluoropropan-2-yl)ethanimidamide is sourced from PubChem (CID 168742284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).