2,2,3,3-tetrafluoro-N'-hydroxycyclobutane-1-carboximidamide

C5H6F4N2O — CID 5194969

IUPAC2,2,3,3-tetrafluoro-N'-hydroxycyclobutane-1-carboximidamide
SMILESNC(=NO)C1CC(F)(F)C1(F)F
InChIInChI=1S/C5H6F4N2O/c6-4(7)1-2(3(10)11-12)5(4,8)9/h2,12H,1H2,(H2,10,11)
InChIKeyVYQNXELOMYWQOA-UHFFFAOYSA-N
MW186.11 g/mol
LogP1.02
Rot. Bonds1

About 2,2,3,3-tetrafluoro-N'-hydroxycyclobutane-1-carboximidamide

2,2,3,3-tetrafluoro-N'-hydroxycyclobutane-1-carboximidamide (PubChem CID 5194969) has the molecular formula C5H6F4N2O and a molecular weight of 186.11 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N'-hydroxycyclobutane-1-carboximidamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N'-hydroxycyclobutane-1-carboximidamide
PubChem CID5194969
Molecular FormulaC5H6F4N2O
Molecular Weight186.11 g/mol
Exact Mass186.04
IUPAC Name2,2,3,3-tetrafluoro-N'-hydroxycyclobutane-1-carboximidamide
SMILESNC(=NO)C1CC(F)(F)C1(F)F
InChIInChI=1S/C5H6F4N2O/c6-4(7)1-2(3(10)11-12)5(4,8)9/h2,12H,1H2,(H2,10,11)
InChIKeyVYQNXELOMYWQOA-UHFFFAOYSA-N
XLogP1.02
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.11
LogP ≤ 51.02
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N'-hydroxycyclobutane-1-carboximidamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N'-hydroxycyclobutane-1-carboximidamide (CID 5194969) is 2,2,3,3-tetrafluoro-N'-hydroxycyclobutane-1-carboximidamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N'-hydroxycyclobutane-1-carboximidamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N'-hydroxycyclobutane-1-carboximidamide is NC(=NO)C1CC(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N'-hydroxycyclobutane-1-carboximidamide?
The InChIKey is VYQNXELOMYWQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F4N2O/c6-4(7)1-2(3(10)11-12)5(4,8)9/h2,12H,1H2,(H2,10,11).
What are the key properties of 2,2,3,3-tetrafluoro-N'-hydroxycyclobutane-1-carboximidamide?
2,2,3,3-tetrafluoro-N'-hydroxycyclobutane-1-carboximidamide has a molecular weight of 186.11 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N'-hydroxycyclobutane-1-carboximidamide is sourced from PubChem (CID 5194969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).