1,2-dichloro-1-ethoxy-1,2,2-trifluoroethane

C4H5Cl2F3O — CID 23235124

IUPAC1,2-dichloro-1-ethoxy-1,2,2-trifluoroethane
SMILESCCOC(F)(Cl)C(F)(F)Cl
InChIInChI=1S/C4H5Cl2F3O/c1-2-10-4(6,9)3(5,7)8/h2H2,1H3
InChIKeyKPXQFSJBBZSKAE-UHFFFAOYSA-N
MW196.98 g/mol
LogP2.72
Rot. Bonds3

About 1,2-dichloro-1-ethoxy-1,2,2-trifluoroethane

1,2-dichloro-1-ethoxy-1,2,2-trifluoroethane (PubChem CID 23235124) has the molecular formula C4H5Cl2F3O and a molecular weight of 196.98 g/mol. Its IUPAC name is 1,2-dichloro-1-ethoxy-1,2,2-trifluoroethane.

Molecular Properties

Compound Name1,2-dichloro-1-ethoxy-1,2,2-trifluoroethane
PubChem CID23235124
Molecular FormulaC4H5Cl2F3O
Molecular Weight196.98 g/mol
Exact Mass195.97
IUPAC Name1,2-dichloro-1-ethoxy-1,2,2-trifluoroethane
SMILESCCOC(F)(Cl)C(F)(F)Cl
InChIInChI=1S/C4H5Cl2F3O/c1-2-10-4(6,9)3(5,7)8/h2H2,1H3
InChIKeyKPXQFSJBBZSKAE-UHFFFAOYSA-N
XLogP2.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.98
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2-dichloro-1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,2,2-trifluoroethane
CID 22625247
1,1,1,2,2-pentachloro-2-ethoxyethane
CID 90965191
2-ethoxy-2-fluorobutane
CID 89114459
1,1,1-triethoxy-2-(trifluoromethylsulfanyl)ethane
CID 12841108
2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-amine
CID 165349343
1-chloro-1-ethoxy-1-methoxyethane
CID 87908688
1-ethoxy-1,1-difluoro-2-iodoethane
CID 119095748
2,2-diethoxy-2-fluoroethanol
CID 174439051
butane;trichloro(fluoro)methane
CID 159264115
1,2,2-trichloro-1,1-difluorobutane
CID 21119103
1-ethoxy-1,1-difluorobutane;fluoromethane
CID 91368772
3-ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethylpentane
CID 19761961

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-1-ethoxy-1,2,2-trifluoroethane?
The IUPAC name of 1,2-dichloro-1-ethoxy-1,2,2-trifluoroethane (CID 23235124) is 1,2-dichloro-1-ethoxy-1,2,2-trifluoroethane.
What is the SMILES notation for 1,2-dichloro-1-ethoxy-1,2,2-trifluoroethane?
The canonical SMILES for 1,2-dichloro-1-ethoxy-1,2,2-trifluoroethane is CCOC(F)(Cl)C(F)(F)Cl.
What is the InChIKey of 1,2-dichloro-1-ethoxy-1,2,2-trifluoroethane?
The InChIKey is KPXQFSJBBZSKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5Cl2F3O/c1-2-10-4(6,9)3(5,7)8/h2H2,1H3.
What are the key properties of 1,2-dichloro-1-ethoxy-1,2,2-trifluoroethane?
1,2-dichloro-1-ethoxy-1,2,2-trifluoroethane has a molecular weight of 196.98 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-1-ethoxy-1,2,2-trifluoroethane is sourced from PubChem (CID 23235124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).