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

C7H15F2N3O2 — CID 106177197

IUPAC2-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxybutanimidamide
SMILESCCC(NCC(F)(F)CO)C(N)=NO
InChIInChI=1S/C7H15F2N3O2/c1-2-5(6(10)12-14)11-3-7(8,9)4-13/h5,11,13-14H,2-4H2,1H3,(H2,10,12)
InChIKeyHANBFVXMUWXABT-UHFFFAOYSA-N
MW211.21 g/mol
LogP-0.27
Rot. Bonds6

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

2-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxybutanimidamide (PubChem CID 106177197) has the molecular formula C7H15F2N3O2 and a molecular weight of 211.21 g/mol. Its IUPAC name is 2-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name2-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxybutanimidamide
PubChem CID106177197
Molecular FormulaC7H15F2N3O2
Molecular Weight211.21 g/mol
Exact Mass211.11
IUPAC Name2-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxybutanimidamide
SMILESCCC(NCC(F)(F)CO)C(N)=NO
InChIInChI=1S/C7H15F2N3O2/c1-2-5(6(10)12-14)11-3-7(8,9)4-13/h5,11,13-14H,2-4H2,1H3,(H2,10,12)
InChIKeyHANBFVXMUWXABT-UHFFFAOYSA-N
XLogP-0.27
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 5-0.27
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-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanimidamide
CID 105646670
N'-hydroxy-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propanimidamide
CID 105646683
2-[(3,3-difluoro-2-hydroxypropyl)amino]-N'-hydroxybutanimidamide
CID 105646711
2-[(3,3-difluoro-2-hydroxypropyl)amino]-N'-hydroxypropanimidamide
CID 105646721
3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypropanimidamide
CID 106177182
3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxybutanimidamide
CID 106177190
3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 106177199
4-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxybutanimidamide
CID 106177202
3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypentanimidamide
CID 106177203
2-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypropanimidamide
CID 106177204
2-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxyethanimidamide
CID 106177206
N'-hydroxy-2-(1-hydroxypropan-2-ylamino)butanimidamide
CID 77027545

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxybutanimidamide?
The IUPAC name of 2-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxybutanimidamide (CID 106177197) is 2-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxybutanimidamide.
What is the SMILES notation for 2-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxybutanimidamide?
The canonical SMILES for 2-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxybutanimidamide is CCC(NCC(F)(F)CO)C(N)=NO.
What is the InChIKey of 2-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxybutanimidamide?
The InChIKey is HANBFVXMUWXABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2N3O2/c1-2-5(6(10)12-14)11-3-7(8,9)4-13/h5,11,13-14H,2-4H2,1H3,(H2,10,12).
What are the key properties of 2-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxybutanimidamide?
2-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxybutanimidamide has a molecular weight of 211.21 g/mol, XLogP of -0.27, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxybutanimidamide is sourced from PubChem (CID 106177197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).