3-fluoro-2,2-dimethylpropanimidamide

C5H11FN2 — CID 87314315

IUPAC3-fluoro-2,2-dimethylpropanimidamide
SMILES[H]/N=C(\N)C(C)(C)CF
InChIInChI=1S/C5H11FN2/c1-5(2,3-6)4(7)8/h3H2,1-2H3,(H3,7,8)
InChIKeyHLGOKOHKRFLFIV-UHFFFAOYSA-N
MW118.15 g/mol
LogP0.92
Rot. Bonds2

About 3-fluoro-2,2-dimethylpropanimidamide

3-fluoro-2,2-dimethylpropanimidamide (PubChem CID 87314315) has the molecular formula C5H11FN2 and a molecular weight of 118.15 g/mol. Its IUPAC name is 3-fluoro-2,2-dimethylpropanimidamide.

Molecular Properties

Compound Name3-fluoro-2,2-dimethylpropanimidamide
PubChem CID87314315
Molecular FormulaC5H11FN2
Molecular Weight118.15 g/mol
Exact Mass118.09
IUPAC Name3-fluoro-2,2-dimethylpropanimidamide
SMILES[H]/N=C(\N)C(C)(C)CF
InChIInChI=1S/C5H11FN2/c1-5(2,3-6)4(7)8/h3H2,1-2H3,(H3,7,8)
InChIKeyHLGOKOHKRFLFIV-UHFFFAOYSA-N
XLogP0.92
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.15
LogP ≤ 50.92
H-Bond Donors ≤ 52
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 3-fluoro-2,2-dimethylpropanimidamide?
The IUPAC name of 3-fluoro-2,2-dimethylpropanimidamide (CID 87314315) is 3-fluoro-2,2-dimethylpropanimidamide.
What is the SMILES notation for 3-fluoro-2,2-dimethylpropanimidamide?
The canonical SMILES for 3-fluoro-2,2-dimethylpropanimidamide is [H]/N=C(\N)C(C)(C)CF.
What is the InChIKey of 3-fluoro-2,2-dimethylpropanimidamide?
The InChIKey is HLGOKOHKRFLFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FN2/c1-5(2,3-6)4(7)8/h3H2,1-2H3,(H3,7,8).
What are the key properties of 3-fluoro-2,2-dimethylpropanimidamide?
3-fluoro-2,2-dimethylpropanimidamide has a molecular weight of 118.15 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,2-dimethylpropanimidamide is sourced from PubChem (CID 87314315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).