1,1,1,2-tetrafluoro-2-iodoethane

C2HF4I — CID 2776659

IUPAC1,1,1,2-tetrafluoro-2-iodoethane
SMILESFC(I)C(F)(F)F
InChIInChI=1S/C2HF4I/c3-1(7)2(4,5)6/h1H
InChIKeyJDAWHMRSFSKYTB-UHFFFAOYSA-N
MW227.93 g/mol
LogP2.28
Rot. Bonds

About 1,1,1,2-tetrafluoro-2-iodoethane

1,1,1,2-tetrafluoro-2-iodoethane (PubChem CID 2776659) has the molecular formula C2HF4I and a molecular weight of 227.93 g/mol. Its IUPAC name is 1,1,1,2-tetrafluoro-2-iodoethane.

Molecular Properties

Compound Name1,1,1,2-tetrafluoro-2-iodoethane
PubChem CID2776659
Molecular FormulaC2HF4I
Molecular Weight227.93 g/mol
Exact Mass227.91
IUPAC Name1,1,1,2-tetrafluoro-2-iodoethane
SMILESFC(I)C(F)(F)F
InChIInChI=1S/C2HF4I/c3-1(7)2(4,5)6/h1H
InChIKeyJDAWHMRSFSKYTB-UHFFFAOYSA-N
XLogP2.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.93
LogP ≤ 52.28
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 1,1,1,2-tetrafluoro-2-iodoethane?
The IUPAC name of 1,1,1,2-tetrafluoro-2-iodoethane (CID 2776659) is 1,1,1,2-tetrafluoro-2-iodoethane.
What is the SMILES notation for 1,1,1,2-tetrafluoro-2-iodoethane?
The canonical SMILES for 1,1,1,2-tetrafluoro-2-iodoethane is FC(I)C(F)(F)F.
What is the InChIKey of 1,1,1,2-tetrafluoro-2-iodoethane?
The InChIKey is JDAWHMRSFSKYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF4I/c3-1(7)2(4,5)6/h1H.
What are the key properties of 1,1,1,2-tetrafluoro-2-iodoethane?
1,1,1,2-tetrafluoro-2-iodoethane has a molecular weight of 227.93 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2-tetrafluoro-2-iodoethane is sourced from PubChem (CID 2776659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).