2-(3,3-difluorocyclopentyl)-N'-hydroxyethanimidamide

C7H12F2N2O — CID 142465564

IUPAC2-(3,3-difluorocyclopentyl)-N'-hydroxyethanimidamide
SMILESN/C(CC1CCC(F)(F)C1)=N\O
InChIInChI=1S/C7H12F2N2O/c8-7(9)2-1-5(4-7)3-6(10)11-12/h5,12H,1-4H2,(H2,10,11)
InChIKeyARVMOBWPMDUGMF-UHFFFAOYSA-N
MW178.18 g/mol
LogP1.56
Rot. Bonds2

About 2-(3,3-difluorocyclopentyl)-N'-hydroxyethanimidamide

2-(3,3-difluorocyclopentyl)-N'-hydroxyethanimidamide (PubChem CID 142465564) has the molecular formula C7H12F2N2O and a molecular weight of 178.18 g/mol. Its IUPAC name is 2-(3,3-difluorocyclopentyl)-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(3,3-difluorocyclopentyl)-N'-hydroxyethanimidamide
PubChem CID142465564
Molecular FormulaC7H12F2N2O
Molecular Weight178.18 g/mol
Exact Mass178.09
IUPAC Name2-(3,3-difluorocyclopentyl)-N'-hydroxyethanimidamide
SMILESN/C(CC1CCC(F)(F)C1)=N\O
InChIInChI=1S/C7H12F2N2O/c8-7(9)2-1-5(4-7)3-6(10)11-12/h5,12H,1-4H2,(H2,10,11)
InChIKeyARVMOBWPMDUGMF-UHFFFAOYSA-N
XLogP1.56
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 51.56
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 2-(3,3-difluorocyclopentyl)-N'-hydroxyethanimidamide?
The IUPAC name of 2-(3,3-difluorocyclopentyl)-N'-hydroxyethanimidamide (CID 142465564) is 2-(3,3-difluorocyclopentyl)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(3,3-difluorocyclopentyl)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(3,3-difluorocyclopentyl)-N'-hydroxyethanimidamide is N/C(CC1CCC(F)(F)C1)=N\O.
What is the InChIKey of 2-(3,3-difluorocyclopentyl)-N'-hydroxyethanimidamide?
The InChIKey is ARVMOBWPMDUGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2O/c8-7(9)2-1-5(4-7)3-6(10)11-12/h5,12H,1-4H2,(H2,10,11).
What are the key properties of 2-(3,3-difluorocyclopentyl)-N'-hydroxyethanimidamide?
2-(3,3-difluorocyclopentyl)-N'-hydroxyethanimidamide has a molecular weight of 178.18 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclopentyl)-N'-hydroxyethanimidamide is sourced from PubChem (CID 142465564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).