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

C8H15F2N3O2 — CID 121204115

IUPAC2-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]-N'-hydroxyethanimidamide
SMILESCOCC1CC(F)(F)CN1C/C(N)=N/O
InChIInChI=1S/C8H15F2N3O2/c1-15-4-6-2-8(9,10)5-13(6)3-7(11)12-14/h6,14H,2-5H2,1H3,(H2,11,12)
InChIKeyZQFGZZQIWABGRN-UHFFFAOYSA-N
MW223.22 g/mol
LogP0.09
Rot. Bonds4

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

2-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]-N'-hydroxyethanimidamide (PubChem CID 121204115) has the molecular formula C8H15F2N3O2 and a molecular weight of 223.22 g/mol. Its IUPAC name is 2-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]-N'-hydroxyethanimidamide
PubChem CID121204115
Molecular FormulaC8H15F2N3O2
Molecular Weight223.22 g/mol
Exact Mass223.11
IUPAC Name2-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]-N'-hydroxyethanimidamide
SMILESCOCC1CC(F)(F)CN1C/C(N)=N/O
InChIInChI=1S/C8H15F2N3O2/c1-15-4-6-2-8(9,10)5-13(6)3-7(11)12-14/h6,14H,2-5H2,1H3,(H2,11,12)
InChIKeyZQFGZZQIWABGRN-UHFFFAOYSA-N
XLogP0.09
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 50.09
H-Bond Donors ≤ 52
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-(methoxymethyl)pyrrolidin-1-yl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]-N'-hydroxyethanimidamide (CID 121204115) is 2-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]-N'-hydroxyethanimidamide is COCC1CC(F)(F)CN1C/C(N)=N/O.
What is the InChIKey of 2-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]-N'-hydroxyethanimidamide?
The InChIKey is ZQFGZZQIWABGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N3O2/c1-15-4-6-2-8(9,10)5-13(6)3-7(11)12-14/h6,14H,2-5H2,1H3,(H2,11,12).
What are the key properties of 2-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]-N'-hydroxyethanimidamide?
2-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]-N'-hydroxyethanimidamide has a molecular weight of 223.22 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 121204115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).