N'-hydroxy-2-[1-(trifluoromethyl)cyclopropyl]ethanimidamide

C6H9F3N2O — CID 169105569

IUPACN'-hydroxy-2-[1-(trifluoromethyl)cyclopropyl]ethanimidamide
SMILESNC(CC1(C(F)(F)F)CC1)=NO
InChIInChI=1S/C6H9F3N2O/c7-6(8,9)5(1-2-5)3-4(10)11-12/h12H,1-3H2,(H2,10,11)
InChIKeyOEXSGXVCRAXQKI-UHFFFAOYSA-N
MW182.14 g/mol
LogP1.47
Rot. Bonds2

About N'-hydroxy-2-[1-(trifluoromethyl)cyclopropyl]ethanimidamide

N'-hydroxy-2-[1-(trifluoromethyl)cyclopropyl]ethanimidamide (PubChem CID 169105569) has the molecular formula C6H9F3N2O and a molecular weight of 182.14 g/mol. Its IUPAC name is N'-hydroxy-2-[1-(trifluoromethyl)cyclopropyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-(trifluoromethyl)cyclopropyl]ethanimidamide
PubChem CID169105569
Molecular FormulaC6H9F3N2O
Molecular Weight182.14 g/mol
Exact Mass182.07
IUPAC NameN'-hydroxy-2-[1-(trifluoromethyl)cyclopropyl]ethanimidamide
SMILESNC(CC1(C(F)(F)F)CC1)=NO
InChIInChI=1S/C6H9F3N2O/c7-6(8,9)5(1-2-5)3-4(10)11-12/h12H,1-3H2,(H2,10,11)
InChIKeyOEXSGXVCRAXQKI-UHFFFAOYSA-N
XLogP1.47
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 51.47
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-2-[1-(trifluoromethyl)cyclopropyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[1-(trifluoromethyl)cyclopropyl]ethanimidamide (CID 169105569) is N'-hydroxy-2-[1-(trifluoromethyl)cyclopropyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[1-(trifluoromethyl)cyclopropyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[1-(trifluoromethyl)cyclopropyl]ethanimidamide is NC(CC1(C(F)(F)F)CC1)=NO.
What is the InChIKey of N'-hydroxy-2-[1-(trifluoromethyl)cyclopropyl]ethanimidamide?
The InChIKey is OEXSGXVCRAXQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O/c7-6(8,9)5(1-2-5)3-4(10)11-12/h12H,1-3H2,(H2,10,11).
What are the key properties of N'-hydroxy-2-[1-(trifluoromethyl)cyclopropyl]ethanimidamide?
N'-hydroxy-2-[1-(trifluoromethyl)cyclopropyl]ethanimidamide has a molecular weight of 182.14 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[1-(trifluoromethyl)cyclopropyl]ethanimidamide is sourced from PubChem (CID 169105569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).