3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2-phenylpropanimidamide

C12H17F2N3O2 — CID 106177205

IUPAC3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2-phenylpropanimidamide
SMILESN/C(=N/O)C(CNCC(F)(F)CO)c1ccccc1
InChIInChI=1S/C12H17F2N3O2/c13-12(14,8-18)7-16-6-10(11(15)17-19)9-4-2-1-3-5-9/h1-5,10,16,18-19H,6-8H2,(H2,15,17)
InChIKeyPRUVJOGRKLVSDM-UHFFFAOYSA-N
MW273.28 g/mol
LogP0.73
Rot. Bonds7

About 3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2-phenylpropanimidamide

3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2-phenylpropanimidamide (PubChem CID 106177205) has the molecular formula C12H17F2N3O2 and a molecular weight of 273.28 g/mol. Its IUPAC name is 3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2-phenylpropanimidamide.

Molecular Properties

Compound Name3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2-phenylpropanimidamide
PubChem CID106177205
Molecular FormulaC12H17F2N3O2
Molecular Weight273.28 g/mol
Exact Mass273.13
IUPAC Name3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2-phenylpropanimidamide
SMILESN/C(=N/O)C(CNCC(F)(F)CO)c1ccccc1
InChIInChI=1S/C12H17F2N3O2/c13-12(14,8-18)7-16-6-10(11(15)17-19)9-4-2-1-3-5-9/h1-5,10,16,18-19H,6-8H2,(H2,15,17)
InChIKeyPRUVJOGRKLVSDM-UHFFFAOYSA-N
XLogP0.73
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 50.73
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

2,2-Difluoro-3-(2-phenylpropylamino)propan-1-ol
CID 121518833
3-[[(3R,4S)-3-(2,6-difluoro-4-methylphenyl)-4-methyl-3,4-dihydro-2H-pyrrol-5-yl]amino]propan-1-ol
CID 126653414
3-[2-(4-fluorophenyl)ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 64326785
3-[2-(2-fluorophenyl)ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 64327413
3-[2-(3-fluorophenyl)ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 64331451
3-[2-(3,5-difluorophenyl)ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 64331706
3-[2-(4-fluorophenyl)ethylamino]-N'-hydroxypropanimidamide
CID 77025677
3-[2-(4-fluorophenyl)ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 77025678
3-[2-(2-fluorophenyl)ethylamino]-N'-hydroxypropanimidamide
CID 77025960
3-[2-(2-fluorophenyl)ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 77026084
5-fluoro-N'-hydroxy-2-[(3-hydroxypropylamino)methyl]benzenecarboximidamide
CID 77029398
3-[2-(3-fluorophenyl)ethylamino]-N'-hydroxypropanimidamide
CID 77029419

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2-phenylpropanimidamide?
The IUPAC name of 3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2-phenylpropanimidamide (CID 106177205) is 3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2-phenylpropanimidamide.
What is the SMILES notation for 3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2-phenylpropanimidamide?
The canonical SMILES for 3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2-phenylpropanimidamide is N/C(=N/O)C(CNCC(F)(F)CO)c1ccccc1.
What is the InChIKey of 3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2-phenylpropanimidamide?
The InChIKey is PRUVJOGRKLVSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3O2/c13-12(14,8-18)7-16-6-10(11(15)17-19)9-4-2-1-3-5-9/h1-5,10,16,18-19H,6-8H2,(H2,15,17).
What are the key properties of 3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2-phenylpropanimidamide?
3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2-phenylpropanimidamide has a molecular weight of 273.28 g/mol, XLogP of 0.73, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2-phenylpropanimidamide is sourced from PubChem (CID 106177205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).