3,3,3-trifluoro-N'-hydroxy-2-[(2,2,3,3-tetrafluoropropylamino)methyl]propanimidamide

C7H10F7N3O — CID 114169476

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[(2,2,3,3-tetrafluoropropylamino)methyl]propanimidamide
SMILESNC(=NO)C(CNCC(F)(F)C(F)F)C(F)(F)F
InChIInChI=1S/C7H10F7N3O/c8-5(9)6(10,11)2-16-1-3(4(15)17-18)7(12,13)14/h3,5,16,18H,1-2H2,(H2,15,17)
InChIKeyPSZDELBISNOBDM-UHFFFAOYSA-N
MW285.16 g/mol
LogP1.40
Rot. Bonds6

About 3,3,3-trifluoro-N'-hydroxy-2-[(2,2,3,3-tetrafluoropropylamino)methyl]propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-[(2,2,3,3-tetrafluoropropylamino)methyl]propanimidamide (PubChem CID 114169476) has the molecular formula C7H10F7N3O and a molecular weight of 285.16 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[(2,2,3,3-tetrafluoropropylamino)methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[(2,2,3,3-tetrafluoropropylamino)methyl]propanimidamide
PubChem CID114169476
Molecular FormulaC7H10F7N3O
Molecular Weight285.16 g/mol
Exact Mass285.07
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[(2,2,3,3-tetrafluoropropylamino)methyl]propanimidamide
SMILESNC(=NO)C(CNCC(F)(F)C(F)F)C(F)(F)F
InChIInChI=1S/C7H10F7N3O/c8-5(9)6(10,11)2-16-1-3(4(15)17-18)7(12,13)14/h3,5,16,18H,1-2H2,(H2,15,17)
InChIKeyPSZDELBISNOBDM-UHFFFAOYSA-N
XLogP1.40
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.16
LogP ≤ 51.40
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

CID 60890994
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CID 76910852
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CID 77029131
CID 77029131
CID 77029332
CID 77029332
CID 77029976
CID 77029976
CID 77030934
CID 77030934
CID 77032720
CID 77032720
CID 77032721
CID 77032721
CID 103369233
CID 103369233
CID 103369243
CID 103369243
CID 103369275
CID 103369275
CID 103369357
CID 103369357

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[(2,2,3,3-tetrafluoropropylamino)methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[(2,2,3,3-tetrafluoropropylamino)methyl]propanimidamide (CID 114169476) is 3,3,3-trifluoro-N'-hydroxy-2-[(2,2,3,3-tetrafluoropropylamino)methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[(2,2,3,3-tetrafluoropropylamino)methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[(2,2,3,3-tetrafluoropropylamino)methyl]propanimidamide is NC(=NO)C(CNCC(F)(F)C(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[(2,2,3,3-tetrafluoropropylamino)methyl]propanimidamide?
The InChIKey is PSZDELBISNOBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F7N3O/c8-5(9)6(10,11)2-16-1-3(4(15)17-18)7(12,13)14/h3,5,16,18H,1-2H2,(H2,15,17).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[(2,2,3,3-tetrafluoropropylamino)methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[(2,2,3,3-tetrafluoropropylamino)methyl]propanimidamide has a molecular weight of 285.16 g/mol, XLogP of 1.40, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N'-hydroxy-2-[(2,2,3,3-tetrafluoropropylamino)methyl]propanimidamide is sourced from PubChem (CID 114169476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).