N'-hydroxy-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanimidamide

C7H12F3N3O — CID 106213686

IUPACN'-hydroxy-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanimidamide
SMILESNC(CCNC1(C(F)(F)F)CC1)=NO
InChIInChI=1S/C7H12F3N3O/c8-7(9,10)6(2-3-6)12-4-1-5(11)13-14/h12,14H,1-4H2,(H2,11,13)
InChIKeyJJFZZLYUNQMTBS-UHFFFAOYSA-N
MW211.19 g/mol
LogP0.81
Rot. Bonds4

About N'-hydroxy-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanimidamide

N'-hydroxy-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanimidamide (PubChem CID 106213686) has the molecular formula C7H12F3N3O and a molecular weight of 211.19 g/mol. Its IUPAC name is N'-hydroxy-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanimidamide
PubChem CID106213686
Molecular FormulaC7H12F3N3O
Molecular Weight211.19 g/mol
Exact Mass211.09
IUPAC NameN'-hydroxy-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanimidamide
SMILESNC(CCNC1(C(F)(F)F)CC1)=NO
InChIInChI=1S/C7H12F3N3O/c8-7(9,10)6(2-3-6)12-4-1-5(11)13-14/h12,14H,1-4H2,(H2,11,13)
InChIKeyJJFZZLYUNQMTBS-UHFFFAOYSA-N
XLogP0.81
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 50.81
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

3-[cyclopropyl(2,2-difluoroethyl)amino]-N'-hydroxypropanimidamide
CID 76911842
3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypropanimidamide
CID 76911850
N'-hydroxy-3-(2,2,2-trifluoroethylamino)propanimidamide
CID 77029131
N'-hydroxy-2-methyl-3-(2,2,2-trifluoroethylamino)propanimidamide
CID 77029332
N'-hydroxy-3-(2,2,2-trifluoroethylamino)butanimidamide
CID 77029333
N'-hydroxy-3-(3,3,3-trifluoropropylamino)propanimidamide
CID 77032720
N'-hydroxy-2-methyl-3-(3,3,3-trifluoropropylamino)propanimidamide
CID 77032721
N'-hydroxy-3-(3,3,3-trifluoropropylamino)butanimidamide
CID 77032865
2-[(cyclopropylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369458
3,3,3-trifluoro-N'-hydroxy-2-[(propan-2-ylamino)methyl]propanimidamide
CID 103369459
2-(ethylaminomethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369460
3,3,3-trifluoro-N'-hydroxy-2-[(2-methylbutan-2-ylamino)methyl]propanimidamide
CID 103369473

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanimidamide (CID 106213686) is N'-hydroxy-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanimidamide is NC(CCNC1(C(F)(F)F)CC1)=NO.
What is the InChIKey of N'-hydroxy-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanimidamide?
The InChIKey is JJFZZLYUNQMTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N3O/c8-7(9,10)6(2-3-6)12-4-1-5(11)13-14/h12,14H,1-4H2,(H2,11,13).
What are the key properties of N'-hydroxy-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanimidamide?
N'-hydroxy-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanimidamide has a molecular weight of 211.19 g/mol, XLogP of 0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanimidamide is sourced from PubChem (CID 106213686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).