3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]propanimidamide

C10H18F3N3O2 — CID 103370233

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]propanimidamide
SMILESCC1(C)C(O)CC1NCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C10H18F3N3O2/c1-9(2)6(3-7(9)17)15-4-5(8(14)16-18)10(11,12)13/h5-7,15,17-18H,3-4H2,1-2H3,(H2,14,16)
InChIKeyCLZDHRSGDFAKMQ-UHFFFAOYSA-N
MW269.27 g/mol
LogP0.66
Rot. Bonds4

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

3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]propanimidamide (PubChem CID 103370233) has the molecular formula C10H18F3N3O2 and a molecular weight of 269.27 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]propanimidamide
PubChem CID103370233
Molecular FormulaC10H18F3N3O2
Molecular Weight269.27 g/mol
Exact Mass269.14
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]propanimidamide
SMILESCC1(C)C(O)CC1NCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C10H18F3N3O2/c1-9(2)6(3-7(9)17)15-4-5(8(14)16-18)10(11,12)13/h5-7,15,17-18H,3-4H2,1-2H3,(H2,14,16)
InChIKeyCLZDHRSGDFAKMQ-UHFFFAOYSA-N
XLogP0.66
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 50.66
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'}

Analyze 3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]propanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxycyclobutyl)amino]methyl]propanimidamide
CID 103369942
3,3,3-trifluoro-N'-hydroxy-2-[(4-hydroxypentan-2-ylamino)methyl]propanimidamide
CID 103370120
3,3,3-trifluoro-N'-hydroxy-2-[(1-hydroxypentan-3-ylamino)methyl]propanimidamide
CID 103370198
3,3,3-trifluoro-N'-hydroxy-2-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]propanimidamide
CID 105844004
2-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 105844040
3,3,3-trifluoro-N'-hydroxy-2-[[(5-hydroxy-2,2-dimethylpentyl)amino]methyl]propanimidamide
CID 106148659
2-[[[2-ethyl-2-(hydroxymethyl)butyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 106256692
3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]propanimidamide
CID 106350255
3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]propanimidamide
CID 106350285
3,3,3-trifluoro-N'-hydroxy-2-[[(2-hydroxy-4,4-dimethylpentyl)amino]methyl]propanimidamide
CID 107153031
3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]propanimidamide
CID 113808005
3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxycyclobutyl)methylamino]methyl]propanimidamide
CID 113808029

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]propanimidamide (CID 103370233) is 3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]propanimidamide is CC1(C)C(O)CC1NCC(C(N)=NO)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]propanimidamide?
The InChIKey is CLZDHRSGDFAKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O2/c1-9(2)6(3-7(9)17)15-4-5(8(14)16-18)10(11,12)13/h5-7,15,17-18H,3-4H2,1-2H3,(H2,14,16).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]propanimidamide has a molecular weight of 269.27 g/mol, XLogP of 0.66, 4 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-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]propanimidamide is sourced from PubChem (CID 103370233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).