1-(2-fluoroethyl)-N'-hydroxypyrrolidine-2-carboximidamide

C7H14FN3O — CID 80694082

IUPAC1-(2-fluoroethyl)-N'-hydroxypyrrolidine-2-carboximidamide
SMILESNC(=NO)C1CCCN1CCF
InChIInChI=1S/C7H14FN3O/c8-3-5-11-4-1-2-6(11)7(9)10-12/h6,12H,1-5H2,(H2,9,10)
InChIKeyRFIVPBOPAJKKPD-UHFFFAOYSA-N
MW175.21 g/mol
LogP0.17
Rot. Bonds3

About 1-(2-fluoroethyl)-N'-hydroxypyrrolidine-2-carboximidamide

1-(2-fluoroethyl)-N'-hydroxypyrrolidine-2-carboximidamide (PubChem CID 80694082) has the molecular formula C7H14FN3O and a molecular weight of 175.21 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-N'-hydroxypyrrolidine-2-carboximidamide.

Molecular Properties

Compound Name1-(2-fluoroethyl)-N'-hydroxypyrrolidine-2-carboximidamide
PubChem CID80694082
Molecular FormulaC7H14FN3O
Molecular Weight175.21 g/mol
Exact Mass175.11
IUPAC Name1-(2-fluoroethyl)-N'-hydroxypyrrolidine-2-carboximidamide
SMILESNC(=NO)C1CCCN1CCF
InChIInChI=1S/C7H14FN3O/c8-3-5-11-4-1-2-6(11)7(9)10-12/h6,12H,1-5H2,(H2,9,10)
InChIKeyRFIVPBOPAJKKPD-UHFFFAOYSA-N
XLogP0.17
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 50.17
H-Bond Donors ≤ 52
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 1-(2-fluoroethyl)-N'-hydroxypyrrolidine-2-carboximidamide?
The IUPAC name of 1-(2-fluoroethyl)-N'-hydroxypyrrolidine-2-carboximidamide (CID 80694082) is 1-(2-fluoroethyl)-N'-hydroxypyrrolidine-2-carboximidamide.
What is the SMILES notation for 1-(2-fluoroethyl)-N'-hydroxypyrrolidine-2-carboximidamide?
The canonical SMILES for 1-(2-fluoroethyl)-N'-hydroxypyrrolidine-2-carboximidamide is NC(=NO)C1CCCN1CCF.
What is the InChIKey of 1-(2-fluoroethyl)-N'-hydroxypyrrolidine-2-carboximidamide?
The InChIKey is RFIVPBOPAJKKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FN3O/c8-3-5-11-4-1-2-6(11)7(9)10-12/h6,12H,1-5H2,(H2,9,10).
What are the key properties of 1-(2-fluoroethyl)-N'-hydroxypyrrolidine-2-carboximidamide?
1-(2-fluoroethyl)-N'-hydroxypyrrolidine-2-carboximidamide has a molecular weight of 175.21 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-N'-hydroxypyrrolidine-2-carboximidamide is sourced from PubChem (CID 80694082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).