1-(trifluoromethyl)cyclopropane-1-carboximidamide;hydrochloride

C5H8ClF3N2 — CID 155892742

IUPAC1-(trifluoromethyl)cyclopropane-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C1(C(F)(F)F)CC1
InChIInChI=1S/C5H7F3N2.ClH/c6-5(7,8)4(1-2-4)3(9)10;/h1-2H2,(H3,9,10);1H
InChIKeyOFHWCYLRUOGFES-UHFFFAOYSA-N
MW188.58 g/mol
LogP1.69
Rot. Bonds1

About 1-(trifluoromethyl)cyclopropane-1-carboximidamide;hydrochloride

1-(trifluoromethyl)cyclopropane-1-carboximidamide;hydrochloride (PubChem CID 155892742) has the molecular formula C5H8ClF3N2 and a molecular weight of 188.58 g/mol. Its IUPAC name is 1-(trifluoromethyl)cyclopropane-1-carboximidamide;hydrochloride.

Molecular Properties

Compound Name1-(trifluoromethyl)cyclopropane-1-carboximidamide;hydrochloride
PubChem CID155892742
Molecular FormulaC5H8ClF3N2
Molecular Weight188.58 g/mol
Exact Mass188.03
IUPAC Name1-(trifluoromethyl)cyclopropane-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C1(C(F)(F)F)CC1
InChIInChI=1S/C5H7F3N2.ClH/c6-5(7,8)4(1-2-4)3(9)10;/h1-2H2,(H3,9,10);1H
InChIKeyOFHWCYLRUOGFES-UHFFFAOYSA-N
XLogP1.69
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.58
LogP ≤ 51.69
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

1-(Trifluoromethyl)cyclopropane-1-carboximidamide
CID 155892743
2-Cyclopropyl-2,2-difluoroethanimidamide
CID 115011276
2,2-Difluoro-3,3-dimethylbutanimidamide
CID 115011786
n'-Amino-1-(difluoromethyl)cyclopropane-1-carboximidamide
CID 164661149
1-Fluorocyclopropane-1-carboximidamide;hydrochloride
CID 142606731

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)cyclopropane-1-carboximidamide;hydrochloride?
The IUPAC name of 1-(trifluoromethyl)cyclopropane-1-carboximidamide;hydrochloride (CID 155892742) is 1-(trifluoromethyl)cyclopropane-1-carboximidamide;hydrochloride.
What is the SMILES notation for 1-(trifluoromethyl)cyclopropane-1-carboximidamide;hydrochloride?
The canonical SMILES for 1-(trifluoromethyl)cyclopropane-1-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)C1(C(F)(F)F)CC1.
What is the InChIKey of 1-(trifluoromethyl)cyclopropane-1-carboximidamide;hydrochloride?
The InChIKey is OFHWCYLRUOGFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N2.ClH/c6-5(7,8)4(1-2-4)3(9)10;/h1-2H2,(H3,9,10);1H.
What are the key properties of 1-(trifluoromethyl)cyclopropane-1-carboximidamide;hydrochloride?
1-(trifluoromethyl)cyclopropane-1-carboximidamide;hydrochloride has a molecular weight of 188.58 g/mol, XLogP of 1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)cyclopropane-1-carboximidamide;hydrochloride is sourced from PubChem (CID 155892742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).