2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide

C8H17F2N3O2 — CID 107480149

IUPAC2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
SMILESCCC(C(N)=NO)N(CCO)CC(F)F
InChIInChI=1S/C8H17F2N3O2/c1-2-6(8(11)12-15)13(3-4-14)5-7(9)10/h6-7,14-15H,2-5H2,1H3,(H2,11,12)
InChIKeyFZBZQTLNXAPFNF-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.07
Rot. Bonds7

About 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide

2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide (PubChem CID 107480149) has the molecular formula C8H17F2N3O2 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
PubChem CID107480149
Molecular FormulaC8H17F2N3O2
Molecular Weight225.24 g/mol
Exact Mass225.13
IUPAC Name2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
SMILESCCC(C(N)=NO)N(CCO)CC(F)F
InChIInChI=1S/C8H17F2N3O2/c1-2-6(8(11)12-15)13(3-4-14)5-7(9)10/h6-7,14-15H,2-5H2,1H3,(H2,11,12)
InChIKeyFZBZQTLNXAPFNF-UHFFFAOYSA-N
XLogP0.07
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.07
H-Bond Donors ≤ 53
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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Related Compounds

N'-hydroxy-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]butanimidamide
CID 63223935
N'-hydroxy-2-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide
CID 76928097
N'-hydroxy-2-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 76928461
N'-hydroxy-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]butanimidamide
CID 76987592
N'-hydroxy-2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]butanimidamide
CID 77012153
N'-hydroxy-2-[2-(2,2,2-trifluoroethoxy)ethylamino]butanimidamide
CID 77028928
N'-hydroxy-2-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]ethanimidamide
CID 77044645
N'-hydroxy-3-[propan-2-yl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
CID 77100274
N'-hydroxy-2-[propyl-[2-(trifluoromethoxy)ethyl]amino]ethanimidamide
CID 77100286
N'-hydroxy-2-[methyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
CID 77100287
N'-hydroxy-3-[methyl-[2-(trifluoromethoxy)ethyl]amino]butanimidamide
CID 77100295
N'-hydroxy-2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]butanimidamide
CID 77100309

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide?
The IUPAC name of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide (CID 107480149) is 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide.
What is the SMILES notation for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide?
The canonical SMILES for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide is CCC(C(N)=NO)N(CCO)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide?
The InChIKey is FZBZQTLNXAPFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2N3O2/c1-2-6(8(11)12-15)13(3-4-14)5-7(9)10/h6-7,14-15H,2-5H2,1H3,(H2,11,12).
What are the key properties of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide?
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide has a molecular weight of 225.24 g/mol, XLogP of 0.07, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide is sourced from PubChem (CID 107480149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).