2-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-N'-hydroxyethanimidamide

C7H13F2N3O2 — CID 121204082

IUPAC2-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-N'-hydroxyethanimidamide
SMILESN/C(CN1CC(F)(F)CC1CO)=N\O
InChIInChI=1S/C7H13F2N3O2/c8-7(9)1-5(3-13)12(4-7)2-6(10)11-14/h5,13-14H,1-4H2,(H2,10,11)
InChIKeyLSNCCZGVVJDDOT-UHFFFAOYSA-N
MW209.20 g/mol
LogP-0.57
Rot. Bonds3

About 2-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-N'-hydroxyethanimidamide

2-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-N'-hydroxyethanimidamide (PubChem CID 121204082) has the molecular formula C7H13F2N3O2 and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-N'-hydroxyethanimidamide
PubChem CID121204082
Molecular FormulaC7H13F2N3O2
Molecular Weight209.20 g/mol
Exact Mass209.10
IUPAC Name2-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-N'-hydroxyethanimidamide
SMILESN/C(CN1CC(F)(F)CC1CO)=N\O
InChIInChI=1S/C7H13F2N3O2/c8-7(9)1-5(3-13)12(4-7)2-6(10)11-14/h5,13-14H,1-4H2,(H2,10,11)
InChIKeyLSNCCZGVVJDDOT-UHFFFAOYSA-N
XLogP-0.57
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-N'-hydroxyethanimidamide (CID 121204082) is 2-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-N'-hydroxyethanimidamide is N/C(CN1CC(F)(F)CC1CO)=N\O.
What is the InChIKey of 2-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-N'-hydroxyethanimidamide?
The InChIKey is LSNCCZGVVJDDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N3O2/c8-7(9)1-5(3-13)12(4-7)2-6(10)11-14/h5,13-14H,1-4H2,(H2,10,11).
What are the key properties of 2-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-N'-hydroxyethanimidamide?
2-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-N'-hydroxyethanimidamide has a molecular weight of 209.20 g/mol, XLogP of -0.57, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 121204082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).