N'-hydroxy-2-[1-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide

C10H18F3N3O2 — CID 107480172

IUPACN'-hydroxy-2-[1-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide
SMILESNC(CC1(CN(CCO)CC(F)(F)F)CC1)=NO
InChIInChI=1S/C10H18F3N3O2/c11-10(12,13)7-16(3-4-17)6-9(1-2-9)5-8(14)15-18/h17-18H,1-7H2,(H2,14,15)
InChIKeyXVKKWPRNSKBZFC-UHFFFAOYSA-N
MW269.27 g/mol
LogP0.76
Rot. Bonds7

About N'-hydroxy-2-[1-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide

N'-hydroxy-2-[1-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide (PubChem CID 107480172) has the molecular formula C10H18F3N3O2 and a molecular weight of 269.27 g/mol. Its IUPAC name is N'-hydroxy-2-[1-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide
PubChem CID107480172
Molecular FormulaC10H18F3N3O2
Molecular Weight269.27 g/mol
Exact Mass269.14
IUPAC NameN'-hydroxy-2-[1-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide
SMILESNC(CC1(CN(CCO)CC(F)(F)F)CC1)=NO
InChIInChI=1S/C10H18F3N3O2/c11-10(12,13)7-16(3-4-17)6-9(1-2-9)5-8(14)15-18/h17-18H,1-7H2,(H2,14,15)
InChIKeyXVKKWPRNSKBZFC-UHFFFAOYSA-N
XLogP0.76
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 50.76
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-[1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclopropyl]ethanimidamide
CID 77070558
N'-hydroxy-2-[1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclopropyl]ethanimidamide
CID 105646664
2-[1-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 105646706
2-[1-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 106177195
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
N'-hydroxy-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 107480165
N'-hydroxy-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide
CID 107480179
2-[1-[[2,2-Difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanimidamide
CID 107480282

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[1-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[1-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide (CID 107480172) is N'-hydroxy-2-[1-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[1-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[1-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide is NC(CC1(CN(CCO)CC(F)(F)F)CC1)=NO.
What is the InChIKey of N'-hydroxy-2-[1-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide?
The InChIKey is XVKKWPRNSKBZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O2/c11-10(12,13)7-16(3-4-17)6-9(1-2-9)5-8(14)15-18/h17-18H,1-7H2,(H2,14,15).
What are the key properties of N'-hydroxy-2-[1-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide?
N'-hydroxy-2-[1-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide has a molecular weight of 269.27 g/mol, XLogP of 0.76, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[1-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 107480172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).