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

C8H17F2N3O2 — CID 106177203

IUPAC3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)NCC(F)(F)CO
InChIInChI=1S/C8H17F2N3O2/c1-2-6(3-7(11)13-15)12-4-8(9,10)5-14/h6,12,14-15H,2-5H2,1H3,(H2,11,13)
InChIKeyLMARQYAVYVLQJS-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.12
Rot. Bonds7

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

3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypentanimidamide (PubChem CID 106177203) has the molecular formula C8H17F2N3O2 and a molecular weight of 225.24 g/mol. Its IUPAC name is 3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypentanimidamide
PubChem CID106177203
Molecular FormulaC8H17F2N3O2
Molecular Weight225.24 g/mol
Exact Mass225.13
IUPAC Name3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)NCC(F)(F)CO
InChIInChI=1S/C8H17F2N3O2/c1-2-6(3-7(11)13-15)12-4-8(9,10)5-14/h6,12,14-15H,2-5H2,1H3,(H2,11,13)
InChIKeyLMARQYAVYVLQJS-UHFFFAOYSA-N
XLogP0.12
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
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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Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypentanimidamide?
The IUPAC name of 3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypentanimidamide (CID 106177203) is 3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypentanimidamide?
The canonical SMILES for 3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypentanimidamide is CCC(CC(N)=NO)NCC(F)(F)CO.
What is the InChIKey of 3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypentanimidamide?
The InChIKey is LMARQYAVYVLQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2N3O2/c1-2-6(3-7(11)13-15)12-4-8(9,10)5-14/h6,12,14-15H,2-5H2,1H3,(H2,11,13).
What are the key properties of 3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypentanimidamide?
3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypentanimidamide has a molecular weight of 225.24 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 3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypentanimidamide is sourced from PubChem (CID 106177203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).