4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxybutanimidamide

C9H16F3N3O — CID 76912589

IUPAC4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxybutanimidamide
SMILESNC(CCCN(CC(F)(F)F)C1CC1)=NO
InChIInChI=1S/C9H16F3N3O/c10-9(11,12)6-15(7-3-4-7)5-1-2-8(13)14-16/h7,16H,1-6H2,(H2,13,14)
InChIKeyDAPKNKPDMVZSFQ-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.54
Rot. Bonds6

About 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxybutanimidamide

4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxybutanimidamide (PubChem CID 76912589) has the molecular formula C9H16F3N3O and a molecular weight of 239.24 g/mol. Its IUPAC name is 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxybutanimidamide
PubChem CID76912589
Molecular FormulaC9H16F3N3O
Molecular Weight239.24 g/mol
Exact Mass239.12
IUPAC Name4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxybutanimidamide
SMILESNC(CCCN(CC(F)(F)F)C1CC1)=NO
InChIInChI=1S/C9H16F3N3O/c10-9(11,12)6-15(7-3-4-7)5-1-2-8(13)14-16/h7,16H,1-6H2,(H2,13,14)
InChIKeyDAPKNKPDMVZSFQ-UHFFFAOYSA-N
XLogP1.54
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxybutanimidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxybutanimidamide?
The IUPAC name of 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxybutanimidamide (CID 76912589) is 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxybutanimidamide?
The canonical SMILES for 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxybutanimidamide is NC(CCCN(CC(F)(F)F)C1CC1)=NO.
What is the InChIKey of 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxybutanimidamide?
The InChIKey is DAPKNKPDMVZSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O/c10-9(11,12)6-15(7-3-4-7)5-1-2-8(13)14-16/h7,16H,1-6H2,(H2,13,14).
What are the key properties of 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxybutanimidamide?
4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxybutanimidamide has a molecular weight of 239.24 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxybutanimidamide is sourced from PubChem (CID 76912589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).