3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]propanimidamide

C9H16F3N3O2 — CID 103370209

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]propanimidamide
SMILESNC(=NO)C(CNC1(CO)CCC1)C(F)(F)F
InChIInChI=1S/C9H16F3N3O2/c10-9(11,12)6(7(13)15-17)4-14-8(5-16)2-1-3-8/h6,14,16-17H,1-5H2,(H2,13,15)
InChIKeyNOIDKAVYCYIERG-UHFFFAOYSA-N
MW255.24 g/mol
LogP0.42
Rot. Bonds5

About 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]propanimidamide (PubChem CID 103370209) has the molecular formula C9H16F3N3O2 and a molecular weight of 255.24 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]propanimidamide
PubChem CID103370209
Molecular FormulaC9H16F3N3O2
Molecular Weight255.24 g/mol
Exact Mass255.12
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]propanimidamide
SMILESNC(=NO)C(CNC1(CO)CCC1)C(F)(F)F
InChIInChI=1S/C9H16F3N3O2/c10-9(11,12)6(7(13)15-17)4-14-8(5-16)2-1-3-8/h6,14,16-17H,1-5H2,(H2,13,15)
InChIKeyNOIDKAVYCYIERG-UHFFFAOYSA-N
XLogP0.42
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 50.42
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

3,3,3-trifluoro-N'-hydroxy-2-[(1-hydroxybutan-2-ylamino)methyl]propanimidamide
CID 103369624
3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]propanimidamide
CID 103369625
3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]propanimidamide
CID 103369887
3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]propanimidamide
CID 103369961
3,3,3-trifluoro-N'-hydroxy-2-[(5-hydroxypentan-2-ylamino)methyl]propanimidamide
CID 103369999
2-[[(2-ethyl-4-hydroxybutyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103370000
2-[[(1,3-dihydroxy-2-methylpropan-2-yl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103370086
3,3,3-trifluoro-N'-hydroxy-2-[[(4-hydroxy-2-methylbutan-2-yl)amino]methyl]propanimidamide
CID 103370206
3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]propanimidamide
CID 103370207
3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxy-3-methylpentan-3-yl)amino]methyl]propanimidamide
CID 106177160
2-[[(3-ethyl-2-hydroxypentyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 106286994
3,3,3-trifluoro-N'-hydroxy-2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]propanimidamide
CID 106299226

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]propanimidamide (CID 103370209) is 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]propanimidamide is NC(=NO)C(CNC1(CO)CCC1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]propanimidamide?
The InChIKey is NOIDKAVYCYIERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O2/c10-9(11,12)6(7(13)15-17)4-14-8(5-16)2-1-3-8/h6,14,16-17H,1-5H2,(H2,13,15).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]propanimidamide has a molecular weight of 255.24 g/mol, XLogP of 0.42, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]propanimidamide is sourced from PubChem (CID 103370209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).