2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanimidamide

C6H13F2N3O — CID 107480257

IUPAC2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanimidamide
SMILES[H]/N=C(\N)CN(CCO)CC(F)F
InChIInChI=1S/C6H13F2N3O/c7-5(8)3-11(1-2-12)4-6(9)10/h5,12H,1-4H2,(H3,9,10)
InChIKeyJRVFLHLLLQNAOO-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.52
Rot. Bonds6

About 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanimidamide

2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanimidamide (PubChem CID 107480257) has the molecular formula C6H13F2N3O and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanimidamide.

Molecular Properties

Compound Name2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanimidamide
PubChem CID107480257
Molecular FormulaC6H13F2N3O
Molecular Weight181.19 g/mol
Exact Mass181.10
IUPAC Name2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanimidamide
SMILES[H]/N=C(\N)CN(CCO)CC(F)F
InChIInChI=1S/C6H13F2N3O/c7-5(8)3-11(1-2-12)4-6(9)10/h5,12H,1-4H2,(H3,9,10)
InChIKeyJRVFLHLLLQNAOO-UHFFFAOYSA-N
XLogP-0.52
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.52
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanimidamide?
The IUPAC name of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanimidamide (CID 107480257) is 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanimidamide.
What is the SMILES notation for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanimidamide?
The canonical SMILES for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanimidamide is [H]/N=C(\N)CN(CCO)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanimidamide?
The InChIKey is JRVFLHLLLQNAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2N3O/c7-5(8)3-11(1-2-12)4-6(9)10/h5,12H,1-4H2,(H3,9,10).
What are the key properties of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanimidamide?
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanimidamide has a molecular weight of 181.19 g/mol, XLogP of -0.52, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanimidamide is sourced from PubChem (CID 107480257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).