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

C5H8ClF3N2 — CID 139269553

IUPAC2-(trifluoromethyl)cyclopropane-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C1CC1C(F)(F)F
InChIInChI=1S/C5H7F3N2.ClH/c6-5(7,8)3-1-2(3)4(9)10;/h2-3H,1H2,(H3,9,10);1H
InChIKeyKGBSRYNRWYJPIO-UHFFFAOYSA-N
MW188.58 g/mol
LogP1.54
Rot. Bonds1

About 2-(trifluoromethyl)cyclopropane-1-carboximidamide;hydrochloride

2-(trifluoromethyl)cyclopropane-1-carboximidamide;hydrochloride (PubChem CID 139269553) has the molecular formula C5H8ClF3N2 and a molecular weight of 188.58 g/mol. Its IUPAC name is 2-(trifluoromethyl)cyclopropane-1-carboximidamide;hydrochloride.

Molecular Properties

Compound Name2-(trifluoromethyl)cyclopropane-1-carboximidamide;hydrochloride
PubChem CID139269553
Molecular FormulaC5H8ClF3N2
Molecular Weight188.58 g/mol
Exact Mass188.03
IUPAC Name2-(trifluoromethyl)cyclopropane-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C1CC1C(F)(F)F
InChIInChI=1S/C5H7F3N2.ClH/c6-5(7,8)3-1-2(3)4(9)10;/h2-3H,1H2,(H3,9,10);1H
InChIKeyKGBSRYNRWYJPIO-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
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

2-Methylcyclopropane-1-carboximidamide hydrochloride
CID 55289632
2-Cyclopropylethanimidamide hydrochloride
CID 57460333
rac-(1R,2R)-2-methylcyclopropane-1-carboximidamide hydrochloride
CID 86641155
2-Cyclopropyl-acetamidine
CID 23104046
2,2-Difluorocyclopropanecarboximidamide
CID 72218518
3,3-Difluorocyclobutanecarboxamidine;hydrochloride
CID 105434631
3,3-Difluorocyclobutane-1-carboximidamide
CID 105434632
2-Cyclopropyl-2-fluoroethanimidamide
CID 115011075
2-Cyclopropyl-2,2-difluoroethanimidamide
CID 115011276
2-(Trifluoromethyl)cyclopropanecarboximidamide
CID 139269554
trans-(1R,2R)-2-(trifluoromethyl)cyclopropane-1-carboximidamide
CID 146082274
2-(2,2-difluorocyclopropyl)-N-hydroxyethanimidamide
CID 165787902

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)cyclopropane-1-carboximidamide;hydrochloride?
The IUPAC name of 2-(trifluoromethyl)cyclopropane-1-carboximidamide;hydrochloride (CID 139269553) is 2-(trifluoromethyl)cyclopropane-1-carboximidamide;hydrochloride.
What is the SMILES notation for 2-(trifluoromethyl)cyclopropane-1-carboximidamide;hydrochloride?
The canonical SMILES for 2-(trifluoromethyl)cyclopropane-1-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)C1CC1C(F)(F)F.
What is the InChIKey of 2-(trifluoromethyl)cyclopropane-1-carboximidamide;hydrochloride?
The InChIKey is KGBSRYNRWYJPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N2.ClH/c6-5(7,8)3-1-2(3)4(9)10;/h2-3H,1H2,(H3,9,10);1H.
What are the key properties of 2-(trifluoromethyl)cyclopropane-1-carboximidamide;hydrochloride?
2-(trifluoromethyl)cyclopropane-1-carboximidamide;hydrochloride has a molecular weight of 188.58 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)cyclopropane-1-carboximidamide;hydrochloride is sourced from PubChem (CID 139269553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).