1-chloro-1-fluoro-2-iodoethane

C2H3ClFI — CID 23262231

IUPAC1-chloro-1-fluoro-2-iodoethane
SMILESFC(Cl)CI
InChIInChI=1S/C2H3ClFI/c3-2(4)1-5/h2H,1H2
InChIKeyPKYSBYQCZHERAU-UHFFFAOYSA-N
MW208.40 g/mol
LogP1.96
Rot. Bonds1

About 1-chloro-1-fluoro-2-iodoethane

1-chloro-1-fluoro-2-iodoethane (PubChem CID 23262231) has the molecular formula C2H3ClFI and a molecular weight of 208.40 g/mol. Its IUPAC name is 1-chloro-1-fluoro-2-iodoethane.

Molecular Properties

Compound Name1-chloro-1-fluoro-2-iodoethane
PubChem CID23262231
Molecular FormulaC2H3ClFI
Molecular Weight208.40 g/mol
Exact Mass207.90
IUPAC Name1-chloro-1-fluoro-2-iodoethane
SMILESFC(Cl)CI
InChIInChI=1S/C2H3ClFI/c3-2(4)1-5/h2H,1H2
InChIKeyPKYSBYQCZHERAU-UHFFFAOYSA-N
XLogP1.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.40
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-fluoro-2-iodoethane?
The IUPAC name of 1-chloro-1-fluoro-2-iodoethane (CID 23262231) is 1-chloro-1-fluoro-2-iodoethane.
What is the SMILES notation for 1-chloro-1-fluoro-2-iodoethane?
The canonical SMILES for 1-chloro-1-fluoro-2-iodoethane is FC(Cl)CI.
What is the InChIKey of 1-chloro-1-fluoro-2-iodoethane?
The InChIKey is PKYSBYQCZHERAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3ClFI/c3-2(4)1-5/h2H,1H2.
What are the key properties of 1-chloro-1-fluoro-2-iodoethane?
1-chloro-1-fluoro-2-iodoethane has a molecular weight of 208.40 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-fluoro-2-iodoethane is sourced from PubChem (CID 23262231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).