5,5,5-trifluoro-N'-hydroxypentanimidamide

C5H9F3N2O — CID 115513866

IUPAC5,5,5-trifluoro-N'-hydroxypentanimidamide
SMILESNC(CCCC(F)(F)F)=NO
InChIInChI=1S/C5H9F3N2O/c6-5(7,8)3-1-2-4(9)10-11/h11H,1-3H2,(H2,9,10)
InChIKeySINAVJHBHSQEMZ-UHFFFAOYSA-N
MW170.13 g/mol
LogP1.47
Rot. Bonds3

About 5,5,5-trifluoro-N'-hydroxypentanimidamide

5,5,5-trifluoro-N'-hydroxypentanimidamide (PubChem CID 115513866) has the molecular formula C5H9F3N2O and a molecular weight of 170.13 g/mol. Its IUPAC name is 5,5,5-trifluoro-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5,5,5-trifluoro-N'-hydroxypentanimidamide
PubChem CID115513866
Molecular FormulaC5H9F3N2O
Molecular Weight170.13 g/mol
Exact Mass170.07
IUPAC Name5,5,5-trifluoro-N'-hydroxypentanimidamide
SMILESNC(CCCC(F)(F)F)=NO
InChIInChI=1S/C5H9F3N2O/c6-5(7,8)3-1-2-4(9)10-11/h11H,1-3H2,(H2,9,10)
InChIKeySINAVJHBHSQEMZ-UHFFFAOYSA-N
XLogP1.47
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.13
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-N'-hydroxypentanimidamide?
The IUPAC name of 5,5,5-trifluoro-N'-hydroxypentanimidamide (CID 115513866) is 5,5,5-trifluoro-N'-hydroxypentanimidamide.
What is the SMILES notation for 5,5,5-trifluoro-N'-hydroxypentanimidamide?
The canonical SMILES for 5,5,5-trifluoro-N'-hydroxypentanimidamide is NC(CCCC(F)(F)F)=NO.
What is the InChIKey of 5,5,5-trifluoro-N'-hydroxypentanimidamide?
The InChIKey is SINAVJHBHSQEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2O/c6-5(7,8)3-1-2-4(9)10-11/h11H,1-3H2,(H2,9,10).
What are the key properties of 5,5,5-trifluoro-N'-hydroxypentanimidamide?
5,5,5-trifluoro-N'-hydroxypentanimidamide has a molecular weight of 170.13 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-N'-hydroxypentanimidamide is sourced from PubChem (CID 115513866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).