3,3,3-trifluoro-2,2-dimethylpropanimidamide;hydrochloride

C5H10ClF3N2 — CID 86641156

IUPAC3,3,3-trifluoro-2,2-dimethylpropanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C(C)(C)C(F)(F)F
InChIInChI=1S/C5H9F3N2.ClH/c1-4(2,3(9)10)5(6,7)8;/h1-2H3,(H3,9,10);1H
InChIKeyOYQDMRGNHICRIN-UHFFFAOYSA-N
MW190.60 g/mol
LogP1.93
Rot. Bonds1

About 3,3,3-trifluoro-2,2-dimethylpropanimidamide;hydrochloride

3,3,3-trifluoro-2,2-dimethylpropanimidamide;hydrochloride (PubChem CID 86641156) has the molecular formula C5H10ClF3N2 and a molecular weight of 190.60 g/mol. Its IUPAC name is 3,3,3-trifluoro-2,2-dimethylpropanimidamide;hydrochloride.

Molecular Properties

Compound Name3,3,3-trifluoro-2,2-dimethylpropanimidamide;hydrochloride
PubChem CID86641156
Molecular FormulaC5H10ClF3N2
Molecular Weight190.60 g/mol
Exact Mass190.05
IUPAC Name3,3,3-trifluoro-2,2-dimethylpropanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C(C)(C)C(F)(F)F
InChIInChI=1S/C5H9F3N2.ClH/c1-4(2,3(9)10)5(6,7)8;/h1-2H3,(H3,9,10);1H
InChIKeyOYQDMRGNHICRIN-UHFFFAOYSA-N
XLogP1.93
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.60
LogP ≤ 51.93
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

Propanimidamide, 2,2-dimethyl-, hydrochloride (1:1)
CID 2781880
2-Fluoro-2-methylpropanimidamide hydrochloride
CID 165656996
2-Fluoro-2-methylpropanimidamide
CID 55285265
3,3,3-Trifluoro-2,2-dimethylpropanimidamide
CID 58092798
3-Fluoro-2,2-dimethylpropanimidamide
CID 87314315
3-Fluoro-2,2-bis(fluoromethyl)propanimidamide
CID 87885939
N'-(chloroamino)-3,3,3-trifluoro-2,2-dimethylpropanimidamide
CID 89666431
(1-Amino-2,2-dimethylpropylidene)azanium chloride
CID 11263520
2,2-Dimethylpropanimidamide;hydron;chloride
CID 91996381
2,2-Difluorobutanimidamide
CID 115011099
2,2-Difluoro-3,3-dimethylbutanimidamide
CID 115011786
n'-Amino-3,3-difluoro-2,2-dimethylpropanimidamide
CID 164643962

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2,2-dimethylpropanimidamide;hydrochloride?
The IUPAC name of 3,3,3-trifluoro-2,2-dimethylpropanimidamide;hydrochloride (CID 86641156) is 3,3,3-trifluoro-2,2-dimethylpropanimidamide;hydrochloride.
What is the SMILES notation for 3,3,3-trifluoro-2,2-dimethylpropanimidamide;hydrochloride?
The canonical SMILES for 3,3,3-trifluoro-2,2-dimethylpropanimidamide;hydrochloride is Cl.[H]/N=C(\N)C(C)(C)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2,2-dimethylpropanimidamide;hydrochloride?
The InChIKey is OYQDMRGNHICRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2.ClH/c1-4(2,3(9)10)5(6,7)8;/h1-2H3,(H3,9,10);1H.
What are the key properties of 3,3,3-trifluoro-2,2-dimethylpropanimidamide;hydrochloride?
3,3,3-trifluoro-2,2-dimethylpropanimidamide;hydrochloride has a molecular weight of 190.60 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2,2-dimethylpropanimidamide;hydrochloride is sourced from PubChem (CID 86641156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).