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

C8H17F2N3O — CID 107480272

IUPAC3-[2,2-difluoroethyl(2-hydroxyethyl)amino]butanimidamide
SMILES[H]/N=C(\N)CC(C)N(CCO)CC(F)F
InChIInChI=1S/C8H17F2N3O/c1-6(4-8(11)12)13(2-3-14)5-7(9)10/h6-7,14H,2-5H2,1H3,(H3,11,12)
InChIKeyOJRPWCVEICXIIL-UHFFFAOYSA-N
MW209.24 g/mol
LogP0.26
Rot. Bonds7

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

3-[2,2-difluoroethyl(2-hydroxyethyl)amino]butanimidamide (PubChem CID 107480272) has the molecular formula C8H17F2N3O and a molecular weight of 209.24 g/mol. Its IUPAC name is 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]butanimidamide.

Molecular Properties

Compound Name3-[2,2-difluoroethyl(2-hydroxyethyl)amino]butanimidamide
PubChem CID107480272
Molecular FormulaC8H17F2N3O
Molecular Weight209.24 g/mol
Exact Mass209.13
IUPAC Name3-[2,2-difluoroethyl(2-hydroxyethyl)amino]butanimidamide
SMILES[H]/N=C(\N)CC(C)N(CCO)CC(F)F
InChIInChI=1S/C8H17F2N3O/c1-6(4-8(11)12)13(2-3-14)5-7(9)10/h6-7,14H,2-5H2,1H3,(H3,11,12)
InChIKeyOJRPWCVEICXIIL-UHFFFAOYSA-N
XLogP0.26
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.26
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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Related Compounds

3-[Propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 54996526
3-[Methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]butanimidamide
CID 63224608
3-[Methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]butanimidamide
CID 63224748
3-[Propan-2-yl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
CID 65803674
3-[Methyl-[2-(trifluoromethoxy)ethyl]amino]butanimidamide
CID 65804093
N'-hydroxy-3-[methyl-[2-(trifluoromethoxy)ethyl]amino]butanimidamide
CID 77100295
2-[[butyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369322
3,3,3-trifluoro-N'-hydroxy-2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]propanimidamide
CID 103369341
3,3,3-trifluoro-N'-hydroxy-2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]propanimidamide
CID 103370152
3,3,3-Trifluoro-2-[[2-hydroxyethyl(methyl)amino]methyl]propanimidamide
CID 103370599
2-[[Ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide
CID 103370600
2-[[Bis(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide
CID 103370608

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]butanimidamide?
The IUPAC name of 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]butanimidamide (CID 107480272) is 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]butanimidamide.
What is the SMILES notation for 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]butanimidamide?
The canonical SMILES for 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]butanimidamide is [H]/N=C(\N)CC(C)N(CCO)CC(F)F.
What is the InChIKey of 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]butanimidamide?
The InChIKey is OJRPWCVEICXIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2N3O/c1-6(4-8(11)12)13(2-3-14)5-7(9)10/h6-7,14H,2-5H2,1H3,(H3,11,12).
What are the key properties of 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]butanimidamide?
3-[2,2-difluoroethyl(2-hydroxyethyl)amino]butanimidamide has a molecular weight of 209.24 g/mol, XLogP of 0.26, 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]butanimidamide is sourced from PubChem (CID 107480272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).