6-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide

C11H23F2N3O2 — CID 106177189

IUPAC6-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide
SMILESCC(C)(CCCCNCC(F)(F)CO)C(N)=NO
InChIInChI=1S/C11H23F2N3O2/c1-10(2,9(14)16-18)5-3-4-6-15-7-11(12,13)8-17/h15,17-18H,3-8H2,1-2H3,(H2,14,16)
InChIKeyUDQUXLKISMWKOT-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.15
Rot. Bonds9

About 6-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide

6-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide (PubChem CID 106177189) has the molecular formula C11H23F2N3O2 and a molecular weight of 267.32 g/mol. Its IUPAC name is 6-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide.

Molecular Properties

Compound Name6-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide
PubChem CID106177189
Molecular FormulaC11H23F2N3O2
Molecular Weight267.32 g/mol
Exact Mass267.18
IUPAC Name6-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide
SMILESCC(C)(CCCCNCC(F)(F)CO)C(N)=NO
InChIInChI=1S/C11H23F2N3O2/c1-10(2,9(14)16-18)5-3-4-6-15-7-11(12,13)8-17/h15,17-18H,3-8H2,1-2H3,(H2,14,16)
InChIKeyUDQUXLKISMWKOT-UHFFFAOYSA-N
XLogP1.15
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]propanimidamide
CID 103370077
N'-hydroxy-2,2-dimethyl-6-[(3,3,3-trifluoro-2-hydroxypropyl)amino]hexanimidamide
CID 105646655
N'-hydroxy-2,2-dimethyl-5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentanimidamide
CID 105646684
5-[(3,3-difluoro-2-hydroxypropyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 105646723
6-[2-(2,2-difluoroethoxy)ethylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 105913725
3,3,3-trifluoro-N'-hydroxy-2-[[(5-hydroxy-2,2-dimethylpentyl)amino]methyl]propanimidamide
CID 106148659
2-[1-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 106177195
4-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 106177198
5-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypentanimidamide
CID 106177200
2-[[[2-ethyl-2-(hydroxymethyl)butyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 106256692
N'-hydroxy-2,2-dimethyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]hexanimidamide
CID 106711163
6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 107480135

Frequently Asked Questions

What is the IUPAC name of 6-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide?
The IUPAC name of 6-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide (CID 106177189) is 6-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide.
What is the SMILES notation for 6-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide?
The canonical SMILES for 6-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide is CC(C)(CCCCNCC(F)(F)CO)C(N)=NO.
What is the InChIKey of 6-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide?
The InChIKey is UDQUXLKISMWKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F2N3O2/c1-10(2,9(14)16-18)5-3-4-6-15-7-11(12,13)8-17/h15,17-18H,3-8H2,1-2H3,(H2,14,16).
What are the key properties of 6-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide?
6-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide has a molecular weight of 267.32 g/mol, XLogP of 1.15, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106177189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).