N-chloro-2-fluoroethanamine

C2H5ClFN — CID 58484038

IUPACN-chloro-2-fluoroethanamine
SMILESFCCNCl
InChIInChI=1S/C2H5ClFN/c3-5-2-1-4/h5H,1-2H2
InChIKeyVZWWAKIDUKWNAC-UHFFFAOYSA-N
MW97.52 g/mol
LogP0.70
Rot. Bonds2

About N-chloro-2-fluoroethanamine

N-chloro-2-fluoroethanamine (PubChem CID 58484038) has the molecular formula C2H5ClFN and a molecular weight of 97.52 g/mol. Its IUPAC name is N-chloro-2-fluoroethanamine.

Molecular Properties

Compound NameN-chloro-2-fluoroethanamine
PubChem CID58484038
Molecular FormulaC2H5ClFN
Molecular Weight97.52 g/mol
Exact Mass97.01
IUPAC NameN-chloro-2-fluoroethanamine
SMILESFCCNCl
InChIInChI=1S/C2H5ClFN/c3-5-2-1-4/h5H,1-2H2
InChIKeyVZWWAKIDUKWNAC-UHFFFAOYSA-N
XLogP0.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.52
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-chloro-2-fluoroethanamine?
The IUPAC name of N-chloro-2-fluoroethanamine (CID 58484038) is N-chloro-2-fluoroethanamine.
What is the SMILES notation for N-chloro-2-fluoroethanamine?
The canonical SMILES for N-chloro-2-fluoroethanamine is FCCNCl.
What is the InChIKey of N-chloro-2-fluoroethanamine?
The InChIKey is VZWWAKIDUKWNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5ClFN/c3-5-2-1-4/h5H,1-2H2.
What are the key properties of N-chloro-2-fluoroethanamine?
N-chloro-2-fluoroethanamine has a molecular weight of 97.52 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-2-fluoroethanamine is sourced from PubChem (CID 58484038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).