N'-hydroxy-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide

C11H22F3N3O2 — CID 107480179

IUPACN'-hydroxy-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide
SMILESCC(C)(CCCN(CCO)CC(F)(F)F)C(N)=NO
InChIInChI=1S/C11H22F3N3O2/c1-10(2,9(15)16-19)4-3-5-17(6-7-18)8-11(12,13)14/h18-19H,3-8H2,1-2H3,(H2,15,16)
InChIKeyQDEJCQXQEHCLBO-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.40
Rot. Bonds8

About N'-hydroxy-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide

N'-hydroxy-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide (PubChem CID 107480179) has the molecular formula C11H22F3N3O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is N'-hydroxy-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide
PubChem CID107480179
Molecular FormulaC11H22F3N3O2
Molecular Weight285.31 g/mol
Exact Mass285.17
IUPAC NameN'-hydroxy-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide
SMILESCC(C)(CCCN(CCO)CC(F)(F)F)C(N)=NO
InChIInChI=1S/C11H22F3N3O2/c1-10(2,9(15)16-19)4-3-5-17(6-7-18)8-11(12,13)14/h18-19H,3-8H2,1-2H3,(H2,15,16)
InChIKeyQDEJCQXQEHCLBO-UHFFFAOYSA-N
XLogP1.40
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.40
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-2,2-dimethyl-5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanimidamide
CID 77063521
N'-hydroxy-2,2-dimethyl-6-[(3,3,3-trifluoro-2-hydroxypropyl)amino]hexanimidamide
CID 105646655
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
6-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106177189
6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 107480135
5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide
CID 107480137
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

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide?
The IUPAC name of N'-hydroxy-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide (CID 107480179) is N'-hydroxy-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide?
The canonical SMILES for N'-hydroxy-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide is CC(C)(CCCN(CCO)CC(F)(F)F)C(N)=NO.
What is the InChIKey of N'-hydroxy-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide?
The InChIKey is QDEJCQXQEHCLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3O2/c1-10(2,9(15)16-19)4-3-5-17(6-7-18)8-11(12,13)14/h18-19H,3-8H2,1-2H3,(H2,15,16).
What are the key properties of N'-hydroxy-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide?
N'-hydroxy-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide has a molecular weight of 285.31 g/mol, XLogP of 1.40, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide is sourced from PubChem (CID 107480179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).