N'-hydroxy-3-(trifluoromethoxy)propanimidamide

C4H7F3N2O2 — CID 77100260

IUPACN'-hydroxy-3-(trifluoromethoxy)propanimidamide
SMILESNC(CCOC(F)(F)F)=NO
InChIInChI=1S/C4H7F3N2O2/c5-4(6,7)11-2-1-3(8)9-10/h10H,1-2H2,(H2,8,9)
InChIKeyNMEHRXSQCLXMLC-UHFFFAOYSA-N
MW172.11 g/mol
LogP0.66
Rot. Bonds3

About N'-hydroxy-3-(trifluoromethoxy)propanimidamide

N'-hydroxy-3-(trifluoromethoxy)propanimidamide (PubChem CID 77100260) has the molecular formula C4H7F3N2O2 and a molecular weight of 172.11 g/mol. Its IUPAC name is N'-hydroxy-3-(trifluoromethoxy)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(trifluoromethoxy)propanimidamide
PubChem CID77100260
Molecular FormulaC4H7F3N2O2
Molecular Weight172.11 g/mol
Exact Mass172.05
IUPAC NameN'-hydroxy-3-(trifluoromethoxy)propanimidamide
SMILESNC(CCOC(F)(F)F)=NO
InChIInChI=1S/C4H7F3N2O2/c5-4(6,7)11-2-1-3(8)9-10/h10H,1-2H2,(H2,8,9)
InChIKeyNMEHRXSQCLXMLC-UHFFFAOYSA-N
XLogP0.66
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.11
LogP ≤ 50.66
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'}

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Related Compounds

N'-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanimidamide
CID 74859890
N'-hydroxy-3-[2-methylpropyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
CID 77100280
3-[2-[(3Z)-3-amino-3-hydroxyiminopropoxy]ethoxy]-N'-hydroxypropanimidamide
CID 59557674
3-[3-(3-amino-3-hydroxyiminopropoxy)-2,2-bis[(3-amino-3-hydroxyiminopropoxy)methyl]propoxy]-N'-hydroxypropanimidamide
CID 76587956
10,10,10-trifluoro-N'-hydroxydecanimidamide
CID 172857318
N'-hydroxy-4-[(2-methylpropan-2-yl)oxy]butanimidamide
CID 43128381
3-butan-2-yloxy-N'-hydroxypropanimidamide
CID 60904690
5-butoxy-N'-hydroxypentanimidamide
CID 109374755
N'-hydroxy-3-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide
CID 54961975
3-heptoxy-N'-hydroxypropanimidamide
CID 43128360
N'-hydroxy-5-(3-methoxypropoxy)pentanimidamide
CID 109374764
9,9-difluoro-N'-hydroxynonanimidamide
CID 156800054

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(trifluoromethoxy)propanimidamide?
The IUPAC name of N'-hydroxy-3-(trifluoromethoxy)propanimidamide (CID 77100260) is N'-hydroxy-3-(trifluoromethoxy)propanimidamide.
What is the SMILES notation for N'-hydroxy-3-(trifluoromethoxy)propanimidamide?
The canonical SMILES for N'-hydroxy-3-(trifluoromethoxy)propanimidamide is NC(CCOC(F)(F)F)=NO.
What is the InChIKey of N'-hydroxy-3-(trifluoromethoxy)propanimidamide?
The InChIKey is NMEHRXSQCLXMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3N2O2/c5-4(6,7)11-2-1-3(8)9-10/h10H,1-2H2,(H2,8,9).
What are the key properties of N'-hydroxy-3-(trifluoromethoxy)propanimidamide?
N'-hydroxy-3-(trifluoromethoxy)propanimidamide has a molecular weight of 172.11 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(trifluoromethoxy)propanimidamide is sourced from PubChem (CID 77100260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).