1-ethoxy-1,1-difluoro-2-iodoethane

C4H7F2IO — CID 119095748

IUPAC1-ethoxy-1,1-difluoro-2-iodoethane
SMILESCCOC(F)(F)CI
InChIInChI=1S/C4H7F2IO/c1-2-8-4(5,6)3-7/h2-3H2,1H3
InChIKeyFQZHYFGNVUULCD-UHFFFAOYSA-N
MW236.00 g/mol
LogP2.05
Rot. Bonds3

About 1-ethoxy-1,1-difluoro-2-iodoethane

1-ethoxy-1,1-difluoro-2-iodoethane (PubChem CID 119095748) has the molecular formula C4H7F2IO and a molecular weight of 236.00 g/mol. Its IUPAC name is 1-ethoxy-1,1-difluoro-2-iodoethane.

Molecular Properties

Compound Name1-ethoxy-1,1-difluoro-2-iodoethane
PubChem CID119095748
Molecular FormulaC4H7F2IO
Molecular Weight236.00 g/mol
Exact Mass235.95
IUPAC Name1-ethoxy-1,1-difluoro-2-iodoethane
SMILESCCOC(F)(F)CI
InChIInChI=1S/C4H7F2IO/c1-2-8-4(5,6)3-7/h2-3H2,1H3
InChIKeyFQZHYFGNVUULCD-UHFFFAOYSA-N
XLogP2.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.00
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-1,1-difluorobutane;fluoromethane
CID 91368772
1-ethoxy-1,1-difluoropentane
CID 21052612
chloro-(3-ethoxy-1,1,3,3-tetrafluoropropyl)-methylsilane
CID 173043236
2-ethoxy-2-fluorobutane
CID 89114459
1-chloro-2-ethoxy-3-iodo-2-methylpropane
CID 114771911
1,2-dichloro-1-ethoxy-1,2,2-trifluoroethane
CID 23235124
2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-amine
CID 165349343
2,2-diethoxy-2-fluoroethanol
CID 174439051
3-dimethylphosphoryloxy-1-ethoxy-1,1-difluoropropane
CID 89445600
1-ethoxy-1,1-difluoro-5-methylheptane
CID 173466732
3-ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethylpentane
CID 19761961
1-ethoxy-1,1,2,2,3,3-hexafluorobutane
CID 152519204

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1,1-difluoro-2-iodoethane?
The IUPAC name of 1-ethoxy-1,1-difluoro-2-iodoethane (CID 119095748) is 1-ethoxy-1,1-difluoro-2-iodoethane.
What is the SMILES notation for 1-ethoxy-1,1-difluoro-2-iodoethane?
The canonical SMILES for 1-ethoxy-1,1-difluoro-2-iodoethane is CCOC(F)(F)CI.
What is the InChIKey of 1-ethoxy-1,1-difluoro-2-iodoethane?
The InChIKey is FQZHYFGNVUULCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2IO/c1-2-8-4(5,6)3-7/h2-3H2,1H3.
What are the key properties of 1-ethoxy-1,1-difluoro-2-iodoethane?
1-ethoxy-1,1-difluoro-2-iodoethane has a molecular weight of 236.00 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1,1-difluoro-2-iodoethane is sourced from PubChem (CID 119095748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).