2,2,2-trifluoro-N,N'-dimethyl-N-propan-2-ylethanimidamide

C7H13F3N2 — CID 138701601

IUPAC2,2,2-trifluoro-N,N'-dimethyl-N-propan-2-ylethanimidamide
SMILESC/N=C(\N(C)C(C)C)C(F)(F)F
InChIInChI=1S/C7H13F3N2/c1-5(2)12(4)6(11-3)7(8,9)10/h5H,1-4H3/b11-6-
InChIKeyOEGDRPKFKKLMPL-WDZFZDKYSA-N
MW182.19 g/mol
LogP1.92
Rot. Bonds1

About 2,2,2-trifluoro-N,N'-dimethyl-N-propan-2-ylethanimidamide

2,2,2-trifluoro-N,N'-dimethyl-N-propan-2-ylethanimidamide (PubChem CID 138701601) has the molecular formula C7H13F3N2 and a molecular weight of 182.19 g/mol. Its IUPAC name is 2,2,2-trifluoro-N,N'-dimethyl-N-propan-2-ylethanimidamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N,N'-dimethyl-N-propan-2-ylethanimidamide
PubChem CID138701601
Molecular FormulaC7H13F3N2
Molecular Weight182.19 g/mol
Exact Mass182.10
IUPAC Name2,2,2-trifluoro-N,N'-dimethyl-N-propan-2-ylethanimidamide
SMILESC/N=C(\N(C)C(C)C)C(F)(F)F
InChIInChI=1S/C7H13F3N2/c1-5(2)12(4)6(11-3)7(8,9)10/h5H,1-4H3/b11-6-
InChIKeyOEGDRPKFKKLMPL-WDZFZDKYSA-N
XLogP1.92
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 51.92
H-Bond Donors ≤ 50
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 2,2,2-trifluoro-N,N'-dimethyl-N-propan-2-ylethanimidamide?
The IUPAC name of 2,2,2-trifluoro-N,N'-dimethyl-N-propan-2-ylethanimidamide (CID 138701601) is 2,2,2-trifluoro-N,N'-dimethyl-N-propan-2-ylethanimidamide.
What is the SMILES notation for 2,2,2-trifluoro-N,N'-dimethyl-N-propan-2-ylethanimidamide?
The canonical SMILES for 2,2,2-trifluoro-N,N'-dimethyl-N-propan-2-ylethanimidamide is C/N=C(\N(C)C(C)C)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N,N'-dimethyl-N-propan-2-ylethanimidamide?
The InChIKey is OEGDRPKFKKLMPL-WDZFZDKYSA-N. The full InChI is InChI=1S/C7H13F3N2/c1-5(2)12(4)6(11-3)7(8,9)10/h5H,1-4H3/b11-6-.
What are the key properties of 2,2,2-trifluoro-N,N'-dimethyl-N-propan-2-ylethanimidamide?
2,2,2-trifluoro-N,N'-dimethyl-N-propan-2-ylethanimidamide has a molecular weight of 182.19 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N,N'-dimethyl-N-propan-2-ylethanimidamide is sourced from PubChem (CID 138701601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).