6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide

C12H25F2N3O2 — CID 107480135

IUPAC6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide
SMILESCC(C)(CCCCN(CCO)CC(F)F)C(N)=NO
InChIInChI=1S/C12H25F2N3O2/c1-12(2,11(15)16-19)5-3-4-6-17(7-8-18)9-10(13)14/h10,18-19H,3-9H2,1-2H3,(H2,15,16)
InChIKeyUHANHTPGCLKPKR-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.49
Rot. Bonds10

About 6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide

6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide (PubChem CID 107480135) has the molecular formula C12H25F2N3O2 and a molecular weight of 281.35 g/mol. Its IUPAC name is 6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide.

Molecular Properties

Compound Name6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide
PubChem CID107480135
Molecular FormulaC12H25F2N3O2
Molecular Weight281.35 g/mol
Exact Mass281.19
IUPAC Name6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide
SMILESCC(C)(CCCCN(CCO)CC(F)F)C(N)=NO
InChIInChI=1S/C12H25F2N3O2/c1-12(2,11(15)16-19)5-3-4-6-17(7-8-18)9-10(13)14/h10,18-19H,3-9H2,1-2H3,(H2,15,16)
InChIKeyUHANHTPGCLKPKR-UHFFFAOYSA-N
XLogP1.49
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.49
H-Bond Donors ≤ 53
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

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
6-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106177189
N'-hydroxy-2,2-dimethyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]hexanimidamide
CID 106711163
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 107480139
2-[1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 107480146
N'-hydroxy-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylhexanimidamide
CID 107480163
N'-hydroxy-2-[1-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide
CID 107480172
N'-hydroxy-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide
CID 107480179
4-[2,2-Difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylbutanimidamide
CID 107480278

Frequently Asked Questions

What is the IUPAC name of 6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide?
The IUPAC name of 6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide (CID 107480135) is 6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide.
What is the SMILES notation for 6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide?
The canonical SMILES for 6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide is CC(C)(CCCCN(CCO)CC(F)F)C(N)=NO.
What is the InChIKey of 6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide?
The InChIKey is UHANHTPGCLKPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25F2N3O2/c1-12(2,11(15)16-19)5-3-4-6-17(7-8-18)9-10(13)14/h10,18-19H,3-9H2,1-2H3,(H2,15,16).
What are the key properties of 6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide?
6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide has a molecular weight of 281.35 g/mol, XLogP of 1.49, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide is sourced from PubChem (CID 107480135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).