N'-amino-3,3-difluoro-2,2-dimethylpropanimidamide

C5H11F2N3 — CID 164643962

IUPACN'-amino-3,3-difluoro-2,2-dimethylpropanimidamide
SMILESCC(C)(/C(N)=N/N)C(F)F
InChIInChI=1S/C5H11F2N3/c1-5(2,3(6)7)4(8)10-9/h3H,9H2,1-2H3,(H2,8,10)
InChIKeyFDXGEDQOFPZXBG-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.51
Rot. Bonds2

About N'-amino-3,3-difluoro-2,2-dimethylpropanimidamide

N'-amino-3,3-difluoro-2,2-dimethylpropanimidamide (PubChem CID 164643962) has the molecular formula C5H11F2N3 and a molecular weight of 151.16 g/mol. Its IUPAC name is N'-amino-3,3-difluoro-2,2-dimethylpropanimidamide.

Molecular Properties

Compound NameN'-amino-3,3-difluoro-2,2-dimethylpropanimidamide
PubChem CID164643962
Molecular FormulaC5H11F2N3
Molecular Weight151.16 g/mol
Exact Mass151.09
IUPAC NameN'-amino-3,3-difluoro-2,2-dimethylpropanimidamide
SMILESCC(C)(/C(N)=N/N)C(F)F
InChIInChI=1S/C5H11F2N3/c1-5(2,3(6)7)4(8)10-9/h3H,9H2,1-2H3,(H2,8,10)
InChIKeyFDXGEDQOFPZXBG-UHFFFAOYSA-N
XLogP0.51
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-amino-3,3-difluoro-2,2-dimethylpropanimidamide?
The IUPAC name of N'-amino-3,3-difluoro-2,2-dimethylpropanimidamide (CID 164643962) is N'-amino-3,3-difluoro-2,2-dimethylpropanimidamide.
What is the SMILES notation for N'-amino-3,3-difluoro-2,2-dimethylpropanimidamide?
The canonical SMILES for N'-amino-3,3-difluoro-2,2-dimethylpropanimidamide is CC(C)(/C(N)=N/N)C(F)F.
What is the InChIKey of N'-amino-3,3-difluoro-2,2-dimethylpropanimidamide?
The InChIKey is FDXGEDQOFPZXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2N3/c1-5(2,3(6)7)4(8)10-9/h3H,9H2,1-2H3,(H2,8,10).
What are the key properties of N'-amino-3,3-difluoro-2,2-dimethylpropanimidamide?
N'-amino-3,3-difluoro-2,2-dimethylpropanimidamide has a molecular weight of 151.16 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-3,3-difluoro-2,2-dimethylpropanimidamide is sourced from PubChem (CID 164643962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).