2-fluoroethanimidamide;hydrochloride

C2H6ClFN2 — CID 42614316

IUPAC2-fluoroethanimidamide;hydrochloride
SMILESCl.[H]/N=C(/N)CF
InChIInChI=1S/C2H5FN2.ClH/c3-1-2(4)5;/h1H2,(H3,4,5);1H
InChIKeyHWXWDHVXNWKIHF-UHFFFAOYSA-N
MW112.54 g/mol
LogP0.31
Rot. Bonds1

About 2-fluoroethanimidamide;hydrochloride

2-fluoroethanimidamide;hydrochloride (PubChem CID 42614316) has the molecular formula C2H6ClFN2 and a molecular weight of 112.54 g/mol. Its IUPAC name is 2-fluoroethanimidamide;hydrochloride.

Molecular Properties

Compound Name2-fluoroethanimidamide;hydrochloride
PubChem CID42614316
Molecular FormulaC2H6ClFN2
Molecular Weight112.54 g/mol
Exact Mass112.02
IUPAC Name2-fluoroethanimidamide;hydrochloride
SMILESCl.[H]/N=C(/N)CF
InChIInChI=1S/C2H5FN2.ClH/c3-1-2(4)5;/h1H2,(H3,4,5);1H
InChIKeyHWXWDHVXNWKIHF-UHFFFAOYSA-N
XLogP0.31
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.54
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Acetamidine monohydrochloride
CID 67170
2,2-Difluoroethanimidamide hydrochloride
CID 87210129
2-Fluoroethanimidamide
CID 3562756
1-Aminoethylideneazanium;chloride
CID 11029766
Ethanimidamide;hydron;chloride
CID 517332
2,2-Difluoroacetimidamide
CID 26597148
3-Fluoropropanimidamide
CID 80698156
2,2-Difluoroethanimidamide;hydrofluoride
CID 171930070
1-Aminoethylideneazanium chloride
CID 172512336
2,2-Difluoroethanimidamide;fluoride
CID 159669726
CID 58754972
CID 58754972
CID 140711225
CID 140711225

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethanimidamide;hydrochloride?
The IUPAC name of 2-fluoroethanimidamide;hydrochloride (CID 42614316) is 2-fluoroethanimidamide;hydrochloride.
What is the SMILES notation for 2-fluoroethanimidamide;hydrochloride?
The canonical SMILES for 2-fluoroethanimidamide;hydrochloride is Cl.[H]/N=C(/N)CF.
What is the InChIKey of 2-fluoroethanimidamide;hydrochloride?
The InChIKey is HWXWDHVXNWKIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5FN2.ClH/c3-1-2(4)5;/h1H2,(H3,4,5);1H.
What are the key properties of 2-fluoroethanimidamide;hydrochloride?
2-fluoroethanimidamide;hydrochloride has a molecular weight of 112.54 g/mol, XLogP of 0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethanimidamide;hydrochloride is sourced from PubChem (CID 42614316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).