2-[1-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide

C9H17F2N3O2 — CID 106177195

IUPAC2-[1-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESNC(CC1(CNCC(F)(F)CO)CC1)=NO
InChIInChI=1S/C9H17F2N3O2/c10-9(11,6-15)5-13-4-8(1-2-8)3-7(12)14-16/h13,15-16H,1-6H2,(H2,12,14)
InChIKeyHYFOWVQWWFXROX-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.12
Rot. Bonds7

About 2-[1-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide

2-[1-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide (PubChem CID 106177195) has the molecular formula C9H17F2N3O2 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-[1-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[1-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
PubChem CID106177195
Molecular FormulaC9H17F2N3O2
Molecular Weight237.25 g/mol
Exact Mass237.13
IUPAC Name2-[1-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESNC(CC1(CNCC(F)(F)CO)CC1)=NO
InChIInChI=1S/C9H17F2N3O2/c10-9(11,6-15)5-13-4-8(1-2-8)3-7(12)14-16/h13,15-16H,1-6H2,(H2,12,14)
InChIKeyHYFOWVQWWFXROX-UHFFFAOYSA-N
XLogP0.12
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.12
H-Bond Donors ≤ 54
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
3,3,3-trifluoro-N'-hydroxy-2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]propanimidamide
CID 103370236
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
6-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106177189
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
2-[1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 107480146
N'-hydroxy-2-[1-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide
CID 107480172
3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]propanimidamide
CID 113808042
2-[1-[[2-(2,2-difluoroethoxy)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 114127896

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[1-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide (CID 106177195) is 2-[1-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[1-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[1-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide is NC(CC1(CNCC(F)(F)CO)CC1)=NO.
What is the InChIKey of 2-[1-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The InChIKey is HYFOWVQWWFXROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N3O2/c10-9(11,6-15)5-13-4-8(1-2-8)3-7(12)14-16/h13,15-16H,1-6H2,(H2,12,14).
What are the key properties of 2-[1-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
2-[1-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide has a molecular weight of 237.25 g/mol, XLogP of 0.12, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 106177195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).