3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanimidamide

C7H15F2N3O — CID 107480270

IUPAC3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCO)CC(F)F
InChIInChI=1S/C7H15F2N3O/c8-6(9)5-12(3-4-13)2-1-7(10)11/h6,13H,1-5H2,(H3,10,11)
InChIKeyNBZMGJBTNVEVCS-UHFFFAOYSA-N
MW195.21 g/mol
LogP-0.13
Rot. Bonds7

About 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanimidamide

3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanimidamide (PubChem CID 107480270) has the molecular formula C7H15F2N3O and a molecular weight of 195.21 g/mol. Its IUPAC name is 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanimidamide.

Molecular Properties

Compound Name3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanimidamide
PubChem CID107480270
Molecular FormulaC7H15F2N3O
Molecular Weight195.21 g/mol
Exact Mass195.12
IUPAC Name3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCO)CC(F)F
InChIInChI=1S/C7H15F2N3O/c8-6(9)5-12(3-4-13)2-1-7(10)11/h6,13H,1-5H2,(H3,10,11)
InChIKeyNBZMGJBTNVEVCS-UHFFFAOYSA-N
XLogP-0.13
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 5-0.13
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 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanimidamide?
The IUPAC name of 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanimidamide (CID 107480270) is 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanimidamide.
What is the SMILES notation for 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanimidamide?
The canonical SMILES for 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanimidamide is [H]/N=C(\N)CCN(CCO)CC(F)F.
What is the InChIKey of 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanimidamide?
The InChIKey is NBZMGJBTNVEVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2N3O/c8-6(9)5-12(3-4-13)2-1-7(10)11/h6,13H,1-5H2,(H3,10,11).
What are the key properties of 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanimidamide?
3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanimidamide has a molecular weight of 195.21 g/mol, XLogP of -0.13, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanimidamide is sourced from PubChem (CID 107480270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).