4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide

C10H21F2N3O2 — CID 107480139

IUPAC4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCC(C)(CCN(CCO)CC(F)F)C(N)=NO
InChIInChI=1S/C10H21F2N3O2/c1-10(2,9(13)14-17)3-4-15(5-6-16)7-8(11)12/h8,16-17H,3-7H2,1-2H3,(H2,13,14)
InChIKeySMZHSEXYDOHGOB-UHFFFAOYSA-N
MW253.29 g/mol
LogP0.71
Rot. Bonds8

About 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide

4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide (PubChem CID 107480139) has the molecular formula C10H21F2N3O2 and a molecular weight of 253.29 g/mol. Its IUPAC name is 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
PubChem CID107480139
Molecular FormulaC10H21F2N3O2
Molecular Weight253.29 g/mol
Exact Mass253.16
IUPAC Name4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCC(C)(CCN(CCO)CC(F)F)C(N)=NO
InChIInChI=1S/C10H21F2N3O2/c1-10(2,9(13)14-17)3-4-15(5-6-16)7-8(11)12/h8,16-17H,3-7H2,1-2H3,(H2,13,14)
InChIKeySMZHSEXYDOHGOB-UHFFFAOYSA-N
XLogP0.71
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 50.71
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

2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369278
3,3,3-trifluoro-N'-hydroxy-2-[[2-hydroxyethyl(propyl)amino]methyl]propanimidamide
CID 103369303
2-[[butyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369322
N'-hydroxy-2,2-dimethyl-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanimidamide
CID 105646672
N'-hydroxy-2,2-dimethyl-5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentanimidamide
CID 105646684
4-[(3,3-difluoro-2-hydroxypropyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 105646712
5-[(3,3-difluoro-2-hydroxypropyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 105646723
4-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 106177198
3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 107480129
6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 107480135
2-[1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 107480146
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
CID 107480155

Frequently Asked Questions

What is the IUPAC name of 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
The IUPAC name of 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide (CID 107480139) is 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide is CC(C)(CCN(CCO)CC(F)F)C(N)=NO.
What is the InChIKey of 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
The InChIKey is SMZHSEXYDOHGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F2N3O2/c1-10(2,9(13)14-17)3-4-15(5-6-16)7-8(11)12/h8,16-17H,3-7H2,1-2H3,(H2,13,14).
What are the key properties of 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide has a molecular weight of 253.29 g/mol, XLogP of 0.71, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide is sourced from PubChem (CID 107480139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).