N'-hydroxy-1-(3,3,3-trifluoropropyl)pyrrole-2-carboximidamide

C8H10F3N3O — CID 114654762

IUPACN'-hydroxy-1-(3,3,3-trifluoropropyl)pyrrole-2-carboximidamide
SMILESN/C(=N/O)c1cccn1CCC(F)(F)F
InChIInChI=1S/C8H10F3N3O/c9-8(10,11)3-5-14-4-1-2-6(14)7(12)13-15/h1-2,4,15H,3,5H2,(H2,12,13)
InChIKeyOEDUHZDYFYREPG-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.53
Rot. Bonds3

About N'-hydroxy-1-(3,3,3-trifluoropropyl)pyrrole-2-carboximidamide

N'-hydroxy-1-(3,3,3-trifluoropropyl)pyrrole-2-carboximidamide (PubChem CID 114654762) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is N'-hydroxy-1-(3,3,3-trifluoropropyl)pyrrole-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(3,3,3-trifluoropropyl)pyrrole-2-carboximidamide
PubChem CID114654762
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC NameN'-hydroxy-1-(3,3,3-trifluoropropyl)pyrrole-2-carboximidamide
SMILESN/C(=N/O)c1cccn1CCC(F)(F)F
InChIInChI=1S/C8H10F3N3O/c9-8(10,11)3-5-14-4-1-2-6(14)7(12)13-15/h1-2,4,15H,3,5H2,(H2,12,13)
InChIKeyOEDUHZDYFYREPG-UHFFFAOYSA-N
XLogP1.53
TPSA63.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(3,3,3-trifluoropropyl)pyrrole-2-carboximidamide?
The IUPAC name of N'-hydroxy-1-(3,3,3-trifluoropropyl)pyrrole-2-carboximidamide (CID 114654762) is N'-hydroxy-1-(3,3,3-trifluoropropyl)pyrrole-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(3,3,3-trifluoropropyl)pyrrole-2-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(3,3,3-trifluoropropyl)pyrrole-2-carboximidamide is N/C(=N/O)c1cccn1CCC(F)(F)F.
What is the InChIKey of N'-hydroxy-1-(3,3,3-trifluoropropyl)pyrrole-2-carboximidamide?
The InChIKey is OEDUHZDYFYREPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c9-8(10,11)3-5-14-4-1-2-6(14)7(12)13-15/h1-2,4,15H,3,5H2,(H2,12,13).
What are the key properties of N'-hydroxy-1-(3,3,3-trifluoropropyl)pyrrole-2-carboximidamide?
N'-hydroxy-1-(3,3,3-trifluoropropyl)pyrrole-2-carboximidamide has a molecular weight of 221.18 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(3,3,3-trifluoropropyl)pyrrole-2-carboximidamide is sourced from PubChem (CID 114654762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).