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

C10H19F3N2 — CID 168742257

IUPACN-tert-butyl-N'-(1,1,1-trifluoropropan-2-yl)propanimidamide
SMILESCC/C(=N\C(C)C(F)(F)F)NC(C)(C)C
InChIInChI=1S/C10H19F3N2/c1-6-8(15-9(3,4)5)14-7(2)10(11,12)13/h7H,6H2,1-5H3,(H,14,15)
InChIKeyDCWJFTKBJDUOGQ-UHFFFAOYSA-N
MW224.27 g/mol
LogP3.13
Rot. Bonds2

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

N-tert-butyl-N'-(1,1,1-trifluoropropan-2-yl)propanimidamide (PubChem CID 168742257) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is N-tert-butyl-N'-(1,1,1-trifluoropropan-2-yl)propanimidamide.

Molecular Properties

Compound NameN-tert-butyl-N'-(1,1,1-trifluoropropan-2-yl)propanimidamide
PubChem CID168742257
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC NameN-tert-butyl-N'-(1,1,1-trifluoropropan-2-yl)propanimidamide
SMILESCC/C(=N\C(C)C(F)(F)F)NC(C)(C)C
InChIInChI=1S/C10H19F3N2/c1-6-8(15-9(3,4)5)14-7(2)10(11,12)13/h7H,6H2,1-5H3,(H,14,15)
InChIKeyDCWJFTKBJDUOGQ-UHFFFAOYSA-N
XLogP3.13
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 53.13
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)propanimidamide?
The IUPAC name of N-tert-butyl-N'-(1,1,1-trifluoropropan-2-yl)propanimidamide (CID 168742257) is N-tert-butyl-N'-(1,1,1-trifluoropropan-2-yl)propanimidamide.
What is the SMILES notation for N-tert-butyl-N'-(1,1,1-trifluoropropan-2-yl)propanimidamide?
The canonical SMILES for N-tert-butyl-N'-(1,1,1-trifluoropropan-2-yl)propanimidamide is CC/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)propanimidamide?
The InChIKey is DCWJFTKBJDUOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2/c1-6-8(15-9(3,4)5)14-7(2)10(11,12)13/h7H,6H2,1-5H3,(H,14,15).
What are the key properties of N-tert-butyl-N'-(1,1,1-trifluoropropan-2-yl)propanimidamide?
N-tert-butyl-N'-(1,1,1-trifluoropropan-2-yl)propanimidamide has a molecular weight of 224.27 g/mol, XLogP of 3.13, 2 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)propanimidamide is sourced from PubChem (CID 168742257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).