2-fluoroethylazanium chloride

C2H7ClFN — CID 139190533

IUPAC2-fluoroethylazanium chloride
SMILES[Cl-].[NH3+]CCF
InChIInChI=1S/C2H6FN.ClH/c3-1-2-4;/h1-2,4H2;1H
InChIKeyYRRZGBOZBIVMJT-UHFFFAOYSA-N
MW99.54 g/mol
LogP-3.80
Rot. Bonds1

About 2-fluoroethylazanium chloride

2-fluoroethylazanium chloride (PubChem CID 139190533) has the molecular formula C2H7ClFN and a molecular weight of 99.54 g/mol. Its IUPAC name is 2-fluoroethylazanium chloride.

Molecular Properties

Compound Name2-fluoroethylazanium chloride
PubChem CID139190533
Molecular FormulaC2H7ClFN
Molecular Weight99.54 g/mol
Exact Mass99.03
IUPAC Name2-fluoroethylazanium chloride
SMILES[Cl-].[NH3+]CCF
InChIInChI=1S/C2H6FN.ClH/c3-1-2-4;/h1-2,4H2;1H
InChIKeyYRRZGBOZBIVMJT-UHFFFAOYSA-N
XLogP-3.80
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.54
LogP ≤ 5-3.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-fluoroethylazanium chloride?
The IUPAC name of 2-fluoroethylazanium chloride (CID 139190533) is 2-fluoroethylazanium chloride.
What is the SMILES notation for 2-fluoroethylazanium chloride?
The canonical SMILES for 2-fluoroethylazanium chloride is [Cl-].[NH3+]CCF.
What is the InChIKey of 2-fluoroethylazanium chloride?
The InChIKey is YRRZGBOZBIVMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6FN.ClH/c3-1-2-4;/h1-2,4H2;1H.
What are the key properties of 2-fluoroethylazanium chloride?
2-fluoroethylazanium chloride has a molecular weight of 99.54 g/mol, XLogP of -3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethylazanium chloride is sourced from PubChem (CID 139190533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).