N-(1-fluoro-2-methylpropan-2-yl)-N'-propan-2-ylethanimidamide

C9H19FN2 — CID 126687632

IUPACN-(1-fluoro-2-methylpropan-2-yl)-N'-propan-2-ylethanimidamide
SMILESC/C(=N\C(C)C)NC(C)(C)CF
InChIInChI=1S/C9H19FN2/c1-7(2)11-8(3)12-9(4,5)6-10/h7H,6H2,1-5H3,(H,11,12)
InChIKeyISHZBUVJIQMOKX-UHFFFAOYSA-N
MW174.26 g/mol
LogP2.15
Rot. Bonds3

About N-(1-fluoro-2-methylpropan-2-yl)-N'-propan-2-ylethanimidamide

N-(1-fluoro-2-methylpropan-2-yl)-N'-propan-2-ylethanimidamide (PubChem CID 126687632) has the molecular formula C9H19FN2 and a molecular weight of 174.26 g/mol. Its IUPAC name is N-(1-fluoro-2-methylpropan-2-yl)-N'-propan-2-ylethanimidamide.

Molecular Properties

Compound NameN-(1-fluoro-2-methylpropan-2-yl)-N'-propan-2-ylethanimidamide
PubChem CID126687632
Molecular FormulaC9H19FN2
Molecular Weight174.26 g/mol
Exact Mass174.15
IUPAC NameN-(1-fluoro-2-methylpropan-2-yl)-N'-propan-2-ylethanimidamide
SMILESC/C(=N\C(C)C)NC(C)(C)CF
InChIInChI=1S/C9H19FN2/c1-7(2)11-8(3)12-9(4,5)6-10/h7H,6H2,1-5H3,(H,11,12)
InChIKeyISHZBUVJIQMOKX-UHFFFAOYSA-N
XLogP2.15
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 52.15
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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Related Compounds

Ethanimidamide, N,N'-bis(1-methylethyl)-
CID 11205611
N'-ethyl-N-(2-fluoropropan-2-yl)propanimidamide
CID 156216131
N-(2-fluoropropan-2-yl)-N'-propan-2-ylpropanimidamide
CID 156216331
N-tert-butyl-N'-(2,2,2-trifluoroethyl)ethanimidamide
CID 168742247
N-tert-butyl-N'-(1,1,1-trifluoropropan-2-yl)propanimidamide
CID 168742257
N-tert-butyl-N'-(1,1,1-trifluoropropan-2-yl)butanimidamide
CID 168742261
N-tert-butyl-N'-(2,2,2-trifluoroethyl)propanimidamide
CID 168742268
N-tert-butyl-N'-(2,2,2-trifluoroethyl)butanimidamide
CID 168742274
N-tert-butyl-N'-(1,1,1-trifluoropropan-2-yl)ethanimidamide
CID 168742284
N-tert-butyl-N'-(2,2-difluoroethyl)ethanimidamide
CID 168742246
N-tert-butyl-N'-(1,1-difluoropropan-2-yl)propanimidamide
CID 168742256
N-tert-butyl-N'-(1,1-difluoropropan-2-yl)butanimidamide
CID 168742260

Frequently Asked Questions

What is the IUPAC name of N-(1-fluoro-2-methylpropan-2-yl)-N'-propan-2-ylethanimidamide?
The IUPAC name of N-(1-fluoro-2-methylpropan-2-yl)-N'-propan-2-ylethanimidamide (CID 126687632) is N-(1-fluoro-2-methylpropan-2-yl)-N'-propan-2-ylethanimidamide.
What is the SMILES notation for N-(1-fluoro-2-methylpropan-2-yl)-N'-propan-2-ylethanimidamide?
The canonical SMILES for N-(1-fluoro-2-methylpropan-2-yl)-N'-propan-2-ylethanimidamide is C/C(=N\C(C)C)NC(C)(C)CF.
What is the InChIKey of N-(1-fluoro-2-methylpropan-2-yl)-N'-propan-2-ylethanimidamide?
The InChIKey is ISHZBUVJIQMOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2/c1-7(2)11-8(3)12-9(4,5)6-10/h7H,6H2,1-5H3,(H,11,12).
What are the key properties of N-(1-fluoro-2-methylpropan-2-yl)-N'-propan-2-ylethanimidamide?
N-(1-fluoro-2-methylpropan-2-yl)-N'-propan-2-ylethanimidamide has a molecular weight of 174.26 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoro-2-methylpropan-2-yl)-N'-propan-2-ylethanimidamide is sourced from PubChem (CID 126687632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).