N'-hydroxy-2-[[1-(trifluoromethyl)cyclopropyl]amino]butanimidamide

C8H14F3N3O — CID 106213708

IUPACN'-hydroxy-2-[[1-(trifluoromethyl)cyclopropyl]amino]butanimidamide
SMILESCCC(NC1(C(F)(F)F)CC1)C(N)=NO
InChIInChI=1S/C8H14F3N3O/c1-2-5(6(12)14-15)13-7(3-4-7)8(9,10)11/h5,13,15H,2-4H2,1H3,(H2,12,14)
InChIKeyHYCGRRATAYRWTG-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.20
Rot. Bonds4

About N'-hydroxy-2-[[1-(trifluoromethyl)cyclopropyl]amino]butanimidamide

N'-hydroxy-2-[[1-(trifluoromethyl)cyclopropyl]amino]butanimidamide (PubChem CID 106213708) has the molecular formula C8H14F3N3O and a molecular weight of 225.21 g/mol. Its IUPAC name is N'-hydroxy-2-[[1-(trifluoromethyl)cyclopropyl]amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[[1-(trifluoromethyl)cyclopropyl]amino]butanimidamide
PubChem CID106213708
Molecular FormulaC8H14F3N3O
Molecular Weight225.21 g/mol
Exact Mass225.11
IUPAC NameN'-hydroxy-2-[[1-(trifluoromethyl)cyclopropyl]amino]butanimidamide
SMILESCCC(NC1(C(F)(F)F)CC1)C(N)=NO
InChIInChI=1S/C8H14F3N3O/c1-2-5(6(12)14-15)13-7(3-4-7)8(9,10)11/h5,13,15H,2-4H2,1H3,(H2,12,14)
InChIKeyHYCGRRATAYRWTG-UHFFFAOYSA-N
XLogP1.20
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.20
H-Bond Donors ≤ 53
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'}

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Related Compounds

2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypropanimidamide
CID 76915279
2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxybutanimidamide
CID 76915606
N'-hydroxy-2-(2,2,2-trifluoroethylamino)butanimidamide
CID 77029974
N'-hydroxy-2-(2,2,2-trifluoroethylamino)propanimidamide
CID 77030183
N'-hydroxy-2-(3,3,3-trifluoropropylamino)butanimidamide
CID 77030782
N'-hydroxy-2-(3,3,3-trifluoropropylamino)propanimidamide
CID 77030936
2-[(1-cyclopropylethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369635
3,3,3-trifluoro-N'-hydroxy-2-[[(2-methylcyclopropyl)amino]methyl]propanimidamide
CID 103369701
2-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369769
2-[[(2,2-dimethylcyclopropyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369795
3,3,3-trifluoro-N'-hydroxy-2-[[(1-methylcyclopropyl)amino]methyl]propanimidamide
CID 103370187
N'-hydroxy-2-(4,4,4-trifluorobutan-2-ylamino)ethanimidamide
CID 105938403

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[[1-(trifluoromethyl)cyclopropyl]amino]butanimidamide?
The IUPAC name of N'-hydroxy-2-[[1-(trifluoromethyl)cyclopropyl]amino]butanimidamide (CID 106213708) is N'-hydroxy-2-[[1-(trifluoromethyl)cyclopropyl]amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-2-[[1-(trifluoromethyl)cyclopropyl]amino]butanimidamide?
The canonical SMILES for N'-hydroxy-2-[[1-(trifluoromethyl)cyclopropyl]amino]butanimidamide is CCC(NC1(C(F)(F)F)CC1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-[[1-(trifluoromethyl)cyclopropyl]amino]butanimidamide?
The InChIKey is HYCGRRATAYRWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O/c1-2-5(6(12)14-15)13-7(3-4-7)8(9,10)11/h5,13,15H,2-4H2,1H3,(H2,12,14).
What are the key properties of N'-hydroxy-2-[[1-(trifluoromethyl)cyclopropyl]amino]butanimidamide?
N'-hydroxy-2-[[1-(trifluoromethyl)cyclopropyl]amino]butanimidamide has a molecular weight of 225.21 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[[1-(trifluoromethyl)cyclopropyl]amino]butanimidamide is sourced from PubChem (CID 106213708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).