2-(3,3-difluorocyclobutyl)-N'-hydroxyethanimidamide

C6H10F2N2O — CID 146157770

IUPAC2-(3,3-difluorocyclobutyl)-N'-hydroxyethanimidamide
SMILESNC(CC1CC(F)(F)C1)=NO
InChIInChI=1S/C6H10F2N2O/c7-6(8)2-4(3-6)1-5(9)10-11/h4,11H,1-3H2,(H2,9,10)
InChIKeyIPVPBTPUXYIZQE-UHFFFAOYSA-N
MW164.16 g/mol
LogP1.17
Rot. Bonds2

About 2-(3,3-difluorocyclobutyl)-N'-hydroxyethanimidamide

2-(3,3-difluorocyclobutyl)-N'-hydroxyethanimidamide (PubChem CID 146157770) has the molecular formula C6H10F2N2O and a molecular weight of 164.16 g/mol. Its IUPAC name is 2-(3,3-difluorocyclobutyl)-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(3,3-difluorocyclobutyl)-N'-hydroxyethanimidamide
PubChem CID146157770
Molecular FormulaC6H10F2N2O
Molecular Weight164.16 g/mol
Exact Mass164.08
IUPAC Name2-(3,3-difluorocyclobutyl)-N'-hydroxyethanimidamide
SMILESNC(CC1CC(F)(F)C1)=NO
InChIInChI=1S/C6H10F2N2O/c7-6(8)2-4(3-6)1-5(9)10-11/h4,11H,1-3H2,(H2,9,10)
InChIKeyIPVPBTPUXYIZQE-UHFFFAOYSA-N
XLogP1.17
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 51.17
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 2-(3,3-difluorocyclobutyl)-N'-hydroxyethanimidamide?
The IUPAC name of 2-(3,3-difluorocyclobutyl)-N'-hydroxyethanimidamide (CID 146157770) is 2-(3,3-difluorocyclobutyl)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(3,3-difluorocyclobutyl)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(3,3-difluorocyclobutyl)-N'-hydroxyethanimidamide is NC(CC1CC(F)(F)C1)=NO.
What is the InChIKey of 2-(3,3-difluorocyclobutyl)-N'-hydroxyethanimidamide?
The InChIKey is IPVPBTPUXYIZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N2O/c7-6(8)2-4(3-6)1-5(9)10-11/h4,11H,1-3H2,(H2,9,10).
What are the key properties of 2-(3,3-difluorocyclobutyl)-N'-hydroxyethanimidamide?
2-(3,3-difluorocyclobutyl)-N'-hydroxyethanimidamide has a molecular weight of 164.16 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclobutyl)-N'-hydroxyethanimidamide is sourced from PubChem (CID 146157770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).