2-(2,2-difluoroethylamino)-N'-hydroxyethanimidamide

C4H9F2N3O — CID 115407292

IUPAC2-(2,2-difluoroethylamino)-N'-hydroxyethanimidamide
SMILESNC(CNCC(F)F)=NO
InChIInChI=1S/C4H9F2N3O/c5-3(6)1-8-2-4(7)9-10/h3,8,10H,1-2H2,(H2,7,9)
InChIKeyHGSCWABEEJXPRZ-UHFFFAOYSA-N
MW153.13 g/mol
LogP-0.41
Rot. Bonds4

About 2-(2,2-difluoroethylamino)-N'-hydroxyethanimidamide

2-(2,2-difluoroethylamino)-N'-hydroxyethanimidamide (PubChem CID 115407292) has the molecular formula C4H9F2N3O and a molecular weight of 153.13 g/mol. Its IUPAC name is 2-(2,2-difluoroethylamino)-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(2,2-difluoroethylamino)-N'-hydroxyethanimidamide
PubChem CID115407292
Molecular FormulaC4H9F2N3O
Molecular Weight153.13 g/mol
Exact Mass153.07
IUPAC Name2-(2,2-difluoroethylamino)-N'-hydroxyethanimidamide
SMILESNC(CNCC(F)F)=NO
InChIInChI=1S/C4H9F2N3O/c5-3(6)1-8-2-4(7)9-10/h3,8,10H,1-2H2,(H2,7,9)
InChIKeyHGSCWABEEJXPRZ-UHFFFAOYSA-N
XLogP-0.41
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.13
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
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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Related Compounds

2-[(2-amino-2-hydroxyiminoethyl)amino]acetamide
CID 77027895
N'-hydroxy-2-(propylamino)ethanimidamide
CID 60711995
N-(2,2-difluoroethyl)-2,2-difluoroethanamine
CID 23323251
2-[[(2Z)-2-amino-2-hydroxyiminoethyl]amino]-N'-hydroxyethanimidamide;2-(cyanomethylamino)acetonitrile
CID 157354439
1-N',3-N'-dihydroxypropanediimidamide
CID 59593648
2-[(2-amino-2-hydroxyiminoethyl)amino]ethyl carbamate
CID 83204997
bis(1-N',3-N'-dihydroxypropanediimidamide);nickel
CID 5259453
N-(2,2-difluoroethyl)-2-methylidenebutan-1-amine
CID 115406522
N'-hydroxy-2-[(4-hydroxycyclohexyl)methylamino]ethanimidamide
CID 106136396
N'-hydroxy-2-(4-propan-2-yloxybutylamino)ethanimidamide
CID 106011945
9,9-difluoro-N'-hydroxynonanimidamide
CID 156800054
N'-hydroxy-2-[(1-hydroxycycloheptyl)methylamino]ethanimidamide
CID 77056758

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethylamino)-N'-hydroxyethanimidamide?
The IUPAC name of 2-(2,2-difluoroethylamino)-N'-hydroxyethanimidamide (CID 115407292) is 2-(2,2-difluoroethylamino)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(2,2-difluoroethylamino)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(2,2-difluoroethylamino)-N'-hydroxyethanimidamide is NC(CNCC(F)F)=NO.
What is the InChIKey of 2-(2,2-difluoroethylamino)-N'-hydroxyethanimidamide?
The InChIKey is HGSCWABEEJXPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2N3O/c5-3(6)1-8-2-4(7)9-10/h3,8,10H,1-2H2,(H2,7,9).
What are the key properties of 2-(2,2-difluoroethylamino)-N'-hydroxyethanimidamide?
2-(2,2-difluoroethylamino)-N'-hydroxyethanimidamide has a molecular weight of 153.13 g/mol, XLogP of -0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethylamino)-N'-hydroxyethanimidamide is sourced from PubChem (CID 115407292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).