2-[1-[[2-(2,2-difluoroethoxy)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide

C10H19F2N3O2 — CID 114127896

IUPAC2-[1-[[2-(2,2-difluoroethoxy)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESNC(CC1(CNCCOCC(F)F)CC1)=NO
InChIInChI=1S/C10H19F2N3O2/c11-8(12)6-17-4-3-14-7-10(1-2-10)5-9(13)15-16/h8,14,16H,1-7H2,(H2,13,15)
InChIKeyXDMQWZPAKBBNLS-UHFFFAOYSA-N
MW251.28 g/mol
LogP0.77
Rot. Bonds9

About 2-[1-[[2-(2,2-difluoroethoxy)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide

2-[1-[[2-(2,2-difluoroethoxy)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide (PubChem CID 114127896) has the molecular formula C10H19F2N3O2 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-[1-[[2-(2,2-difluoroethoxy)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[1-[[2-(2,2-difluoroethoxy)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
PubChem CID114127896
Molecular FormulaC10H19F2N3O2
Molecular Weight251.28 g/mol
Exact Mass251.14
IUPAC Name2-[1-[[2-(2,2-difluoroethoxy)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESNC(CC1(CNCCOCC(F)F)CC1)=NO
InChIInChI=1S/C10H19F2N3O2/c11-8(12)6-17-4-3-14-7-10(1-2-10)5-9(13)15-16/h8,14,16H,1-7H2,(H2,13,15)
InChIKeyXDMQWZPAKBBNLS-UHFFFAOYSA-N
XLogP0.77
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 50.77
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-5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanimidamide
CID 77028924
N'-hydroxy-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butanimidamide
CID 77028930
N'-hydroxy-2,2-dimethyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butanimidamide
CID 77062181
N'-hydroxy-2,2-dimethyl-5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanimidamide
CID 77063521
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
4-[2-(2,2-difluoroethoxy)ethylamino]-N'-hydroxybutanimidamide
CID 105913718
6-[2-(2,2-difluoroethoxy)ethylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 105913725
4-[2-(2,2-difluoroethoxy)ethylamino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 105913747
5-[2-(2,2-difluoroethoxy)ethylamino]-N'-hydroxypentanimidamide
CID 105913751
2-[1-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 106177195

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(2,2-difluoroethoxy)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[1-[[2-(2,2-difluoroethoxy)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide (CID 114127896) is 2-[1-[[2-(2,2-difluoroethoxy)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[1-[[2-(2,2-difluoroethoxy)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[1-[[2-(2,2-difluoroethoxy)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide is NC(CC1(CNCCOCC(F)F)CC1)=NO.
What is the InChIKey of 2-[1-[[2-(2,2-difluoroethoxy)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The InChIKey is XDMQWZPAKBBNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2N3O2/c11-8(12)6-17-4-3-14-7-10(1-2-10)5-9(13)15-16/h8,14,16H,1-7H2,(H2,13,15).
What are the key properties of 2-[1-[[2-(2,2-difluoroethoxy)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
2-[1-[[2-(2,2-difluoroethoxy)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide has a molecular weight of 251.28 g/mol, XLogP of 0.77, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(2,2-difluoroethoxy)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 114127896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).