1,2-difluoro-1-iodoethane

C2H3F2I — CID 23510624

IUPAC1,2-difluoro-1-iodoethane
SMILESFCC(F)I
InChIInChI=1S/C2H3F2I/c3-1-2(4)5/h2H,1H2
InChIKeyXHMJGNMNFYVRFR-UHFFFAOYSA-N
MW191.95 g/mol
LogP1.69
Rot. Bonds1

About 1,2-difluoro-1-iodoethane

1,2-difluoro-1-iodoethane (PubChem CID 23510624) has the molecular formula C2H3F2I and a molecular weight of 191.95 g/mol. Its IUPAC name is 1,2-difluoro-1-iodoethane.

Molecular Properties

Compound Name1,2-difluoro-1-iodoethane
PubChem CID23510624
Molecular FormulaC2H3F2I
Molecular Weight191.95 g/mol
Exact Mass191.92
IUPAC Name1,2-difluoro-1-iodoethane
SMILESFCC(F)I
InChIInChI=1S/C2H3F2I/c3-1-2(4)5/h2H,1H2
InChIKeyXHMJGNMNFYVRFR-UHFFFAOYSA-N
XLogP1.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.95
LogP ≤ 51.69
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 1,2-difluoro-1-iodoethane?
The IUPAC name of 1,2-difluoro-1-iodoethane (CID 23510624) is 1,2-difluoro-1-iodoethane.
What is the SMILES notation for 1,2-difluoro-1-iodoethane?
The canonical SMILES for 1,2-difluoro-1-iodoethane is FCC(F)I.
What is the InChIKey of 1,2-difluoro-1-iodoethane?
The InChIKey is XHMJGNMNFYVRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3F2I/c3-1-2(4)5/h2H,1H2.
What are the key properties of 1,2-difluoro-1-iodoethane?
1,2-difluoro-1-iodoethane has a molecular weight of 191.95 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-1-iodoethane is sourced from PubChem (CID 23510624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).