N'-hydroxy-1-(trifluoromethyl)cyclopropane-1-carboximidamide

C5H7F3N2O — CID 59650617

IUPACN'-hydroxy-1-(trifluoromethyl)cyclopropane-1-carboximidamide
SMILESN/C(=N\O)C1(C(F)(F)F)CC1
InChIInChI=1S/C5H7F3N2O/c6-5(7,8)4(1-2-4)3(9)10-11/h11H,1-2H2,(H2,9,10)
InChIKeyXKMIYSUIBISHIB-UHFFFAOYSA-N
MW168.12 g/mol
LogP1.08
Rot. Bonds1

About N'-hydroxy-1-(trifluoromethyl)cyclopropane-1-carboximidamide

N'-hydroxy-1-(trifluoromethyl)cyclopropane-1-carboximidamide (PubChem CID 59650617) has the molecular formula C5H7F3N2O and a molecular weight of 168.12 g/mol. Its IUPAC name is N'-hydroxy-1-(trifluoromethyl)cyclopropane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(trifluoromethyl)cyclopropane-1-carboximidamide
PubChem CID59650617
Molecular FormulaC5H7F3N2O
Molecular Weight168.12 g/mol
Exact Mass168.05
IUPAC NameN'-hydroxy-1-(trifluoromethyl)cyclopropane-1-carboximidamide
SMILESN/C(=N\O)C1(C(F)(F)F)CC1
InChIInChI=1S/C5H7F3N2O/c6-5(7,8)4(1-2-4)3(9)10-11/h11H,1-2H2,(H2,9,10)
InChIKeyXKMIYSUIBISHIB-UHFFFAOYSA-N
XLogP1.08
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.12
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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'-hydroxy-1-(trifluoromethyl)cyclopropane-1-carboximidamide?
The IUPAC name of N'-hydroxy-1-(trifluoromethyl)cyclopropane-1-carboximidamide (CID 59650617) is N'-hydroxy-1-(trifluoromethyl)cyclopropane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(trifluoromethyl)cyclopropane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(trifluoromethyl)cyclopropane-1-carboximidamide is N/C(=N\O)C1(C(F)(F)F)CC1.
What is the InChIKey of N'-hydroxy-1-(trifluoromethyl)cyclopropane-1-carboximidamide?
The InChIKey is XKMIYSUIBISHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N2O/c6-5(7,8)4(1-2-4)3(9)10-11/h11H,1-2H2,(H2,9,10).
What are the key properties of N'-hydroxy-1-(trifluoromethyl)cyclopropane-1-carboximidamide?
N'-hydroxy-1-(trifluoromethyl)cyclopropane-1-carboximidamide has a molecular weight of 168.12 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(trifluoromethyl)cyclopropane-1-carboximidamide is sourced from PubChem (CID 59650617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).