2,2-difluoro-3,3-dimethylbutanimidamide

C6H12F2N2 — CID 115011786

IUPAC2,2-difluoro-3,3-dimethylbutanimidamide
SMILES[H]/N=C(\N)C(F)(F)C(C)(C)C
InChIInChI=1S/C6H12F2N2/c1-5(2,3)6(7,8)4(9)10/h1-3H3,(H3,9,10)
InChIKeyGRLLFQGIMHDHCQ-UHFFFAOYSA-N
MW150.17 g/mol
LogP1.60
Rot. Bonds1

About 2,2-difluoro-3,3-dimethylbutanimidamide

2,2-difluoro-3,3-dimethylbutanimidamide (PubChem CID 115011786) has the molecular formula C6H12F2N2 and a molecular weight of 150.17 g/mol. Its IUPAC name is 2,2-difluoro-3,3-dimethylbutanimidamide.

Molecular Properties

Compound Name2,2-difluoro-3,3-dimethylbutanimidamide
PubChem CID115011786
Molecular FormulaC6H12F2N2
Molecular Weight150.17 g/mol
Exact Mass150.10
IUPAC Name2,2-difluoro-3,3-dimethylbutanimidamide
SMILES[H]/N=C(\N)C(F)(F)C(C)(C)C
InChIInChI=1S/C6H12F2N2/c1-5(2,3)6(7,8)4(9)10/h1-3H3,(H3,9,10)
InChIKeyGRLLFQGIMHDHCQ-UHFFFAOYSA-N
XLogP1.60
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 51.60
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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Related Compounds

3,3,3-Trifluoro-2,2-dimethylpropanimidamide
CID 58092798
4,4,4-Trifluoro-3-methylbutanimidamide
CID 83682014
3,3,3-Trifluoro-2,2-dimethylpropanimidamide hydrochloride
CID 86641156
4,4,4-Trifluoro-2-methylbutanimidamide
CID 123500667
1-(Trifluoromethyl)cyclopropane-1-carboximidamide hydrochloride
CID 155892742
2,2-Difluorobutanimidamide
CID 115011099
2-Fluoro-3,3-dimethylbutanimidamide
CID 115011257
2,2-Difluoro-3-methylbutanimidamide
CID 115011296
(2R)-4,4,4-trifluoro-2-methylbutanimidamide
CID 147100872
(Z)-4,4-difluoro-N'-hydroxy-2,2-dimethylbutanimidamide
CID 168025889
(Z)-4,4,4-trifluoro-N'-hydroxy-2,2-dimethylbutanimidamide
CID 168025890
2,2-Dimethylbutanimidamide
CID 13911461

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3,3-dimethylbutanimidamide?
The IUPAC name of 2,2-difluoro-3,3-dimethylbutanimidamide (CID 115011786) is 2,2-difluoro-3,3-dimethylbutanimidamide.
What is the SMILES notation for 2,2-difluoro-3,3-dimethylbutanimidamide?
The canonical SMILES for 2,2-difluoro-3,3-dimethylbutanimidamide is [H]/N=C(\N)C(F)(F)C(C)(C)C.
What is the InChIKey of 2,2-difluoro-3,3-dimethylbutanimidamide?
The InChIKey is GRLLFQGIMHDHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2/c1-5(2,3)6(7,8)4(9)10/h1-3H3,(H3,9,10).
What are the key properties of 2,2-difluoro-3,3-dimethylbutanimidamide?
2,2-difluoro-3,3-dimethylbutanimidamide has a molecular weight of 150.17 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3,3-dimethylbutanimidamide is sourced from PubChem (CID 115011786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).