N'-hydroxy-3-(3,3,3-trifluoropropylamino)pentanimidamide

C8H16F3N3O — CID 77030779

IUPACN'-hydroxy-3-(3,3,3-trifluoropropylamino)pentanimidamide
SMILESCCC(CC(N)=NO)NCCC(F)(F)F
InChIInChI=1S/C8H16F3N3O/c1-2-6(5-7(12)14-15)13-4-3-8(9,10)11/h6,13,15H,2-5H2,1H3,(H2,12,14)
InChIKeyFLZCJDSSQGTSFP-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.44
Rot. Bonds6

About N'-hydroxy-3-(3,3,3-trifluoropropylamino)pentanimidamide

N'-hydroxy-3-(3,3,3-trifluoropropylamino)pentanimidamide (PubChem CID 77030779) has the molecular formula C8H16F3N3O and a molecular weight of 227.23 g/mol. Its IUPAC name is N'-hydroxy-3-(3,3,3-trifluoropropylamino)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(3,3,3-trifluoropropylamino)pentanimidamide
PubChem CID77030779
Molecular FormulaC8H16F3N3O
Molecular Weight227.23 g/mol
Exact Mass227.12
IUPAC NameN'-hydroxy-3-(3,3,3-trifluoropropylamino)pentanimidamide
SMILESCCC(CC(N)=NO)NCCC(F)(F)F
InChIInChI=1S/C8H16F3N3O/c1-2-6(5-7(12)14-15)13-4-3-8(9,10)11/h6,13,15H,2-5H2,1H3,(H2,12,14)
InChIKeyFLZCJDSSQGTSFP-UHFFFAOYSA-N
XLogP1.44
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.44
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(3,3,3-trifluoropropylamino)pentanimidamide?
The IUPAC name of N'-hydroxy-3-(3,3,3-trifluoropropylamino)pentanimidamide (CID 77030779) is N'-hydroxy-3-(3,3,3-trifluoropropylamino)pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-(3,3,3-trifluoropropylamino)pentanimidamide?
The canonical SMILES for N'-hydroxy-3-(3,3,3-trifluoropropylamino)pentanimidamide is CCC(CC(N)=NO)NCCC(F)(F)F.
What is the InChIKey of N'-hydroxy-3-(3,3,3-trifluoropropylamino)pentanimidamide?
The InChIKey is FLZCJDSSQGTSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3O/c1-2-6(5-7(12)14-15)13-4-3-8(9,10)11/h6,13,15H,2-5H2,1H3,(H2,12,14).
What are the key properties of N'-hydroxy-3-(3,3,3-trifluoropropylamino)pentanimidamide?
N'-hydroxy-3-(3,3,3-trifluoropropylamino)pentanimidamide has a molecular weight of 227.23 g/mol, XLogP of 1.44, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(3,3,3-trifluoropropylamino)pentanimidamide is sourced from PubChem (CID 77030779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).