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

C6H10F3N3O — CID 106213717

IUPACN'-hydroxy-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethanimidamide
SMILESNC(CNC1(C(F)(F)F)CC1)=NO
InChIInChI=1S/C6H10F3N3O/c7-6(8,9)5(1-2-5)11-3-4(10)12-13/h11,13H,1-3H2,(H2,10,12)
InChIKeyCQXDTOPMQJMILF-UHFFFAOYSA-N
MW197.16 g/mol
LogP0.42
Rot. Bonds3

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

N'-hydroxy-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethanimidamide (PubChem CID 106213717) has the molecular formula C6H10F3N3O and a molecular weight of 197.16 g/mol. Its IUPAC name is N'-hydroxy-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethanimidamide
PubChem CID106213717
Molecular FormulaC6H10F3N3O
Molecular Weight197.16 g/mol
Exact Mass197.08
IUPAC NameN'-hydroxy-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethanimidamide
SMILESNC(CNC1(C(F)(F)F)CC1)=NO
InChIInChI=1S/C6H10F3N3O/c7-6(8,9)5(1-2-5)11-3-4(10)12-13/h11,13H,1-3H2,(H2,10,12)
InChIKeyCQXDTOPMQJMILF-UHFFFAOYSA-N
XLogP0.42
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 50.42
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'-hydroxyethanimidamide
CID 76912585
N'-hydroxy-2-(3,3,3-trifluoropropylamino)ethanimidamide
CID 77030622
N'-hydroxy-2-(3,3,3-trifluoropropylamino)propanimidamide
CID 77030936
2-[(cyclopropylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369458
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
N'-hydroxy-2-(4,4,4-trifluorobutan-2-ylamino)propanimidamide
CID 105938452
N'-hydroxy-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanimidamide
CID 106213686
3,3,3-trifluoro-N'-hydroxy-2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]propanimidamide
CID 106213697
N'-hydroxy-2-[[1-(trifluoromethyl)cyclopropyl]amino]butanimidamide
CID 106213708
N'-hydroxy-2-methyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanimidamide
CID 106213709
N'-hydroxy-4-[[1-(trifluoromethyl)cyclopropyl]amino]butanimidamide
CID 106213712

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethanimidamide (CID 106213717) is N'-hydroxy-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethanimidamide is NC(CNC1(C(F)(F)F)CC1)=NO.
What is the InChIKey of N'-hydroxy-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethanimidamide?
The InChIKey is CQXDTOPMQJMILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N3O/c7-6(8,9)5(1-2-5)11-3-4(10)12-13/h11,13H,1-3H2,(H2,10,12).
What are the key properties of N'-hydroxy-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethanimidamide?
N'-hydroxy-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethanimidamide has a molecular weight of 197.16 g/mol, XLogP of 0.42, 3 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]ethanimidamide is sourced from PubChem (CID 106213717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).