2-[dichloro(fluoro)methoxy]-1,1,1,2-tetrafluoroethane

C3HCl2F5O — CID 10242523

IUPAC2-[dichloro(fluoro)methoxy]-1,1,1,2-tetrafluoroethane
SMILESFC(OC(F)(Cl)Cl)C(F)(F)F
InChIInChI=1S/C3HCl2F5O/c4-3(5,10)11-1(6)2(7,8)9/h1H
InChIKeySVCRBYWMLMKPSS-UHFFFAOYSA-N
MW218.94 g/mol
LogP2.92
Rot. Bonds2

About 2-[dichloro(fluoro)methoxy]-1,1,1,2-tetrafluoroethane

2-[dichloro(fluoro)methoxy]-1,1,1,2-tetrafluoroethane (PubChem CID 10242523) has the molecular formula C3HCl2F5O and a molecular weight of 218.94 g/mol. Its IUPAC name is 2-[dichloro(fluoro)methoxy]-1,1,1,2-tetrafluoroethane.

Molecular Properties

Compound Name2-[dichloro(fluoro)methoxy]-1,1,1,2-tetrafluoroethane
PubChem CID10242523
Molecular FormulaC3HCl2F5O
Molecular Weight218.94 g/mol
Exact Mass217.93
IUPAC Name2-[dichloro(fluoro)methoxy]-1,1,1,2-tetrafluoroethane
SMILESFC(OC(F)(Cl)Cl)C(F)(F)F
InChIInChI=1S/C3HCl2F5O/c4-3(5,10)11-1(6)2(7,8)9/h1H
InChIKeySVCRBYWMLMKPSS-UHFFFAOYSA-N
XLogP2.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.94
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[dichloro(fluoro)methoxy]-1,1,1,2-tetrafluoroethane?
The IUPAC name of 2-[dichloro(fluoro)methoxy]-1,1,1,2-tetrafluoroethane (CID 10242523) is 2-[dichloro(fluoro)methoxy]-1,1,1,2-tetrafluoroethane.
What is the SMILES notation for 2-[dichloro(fluoro)methoxy]-1,1,1,2-tetrafluoroethane?
The canonical SMILES for 2-[dichloro(fluoro)methoxy]-1,1,1,2-tetrafluoroethane is FC(OC(F)(Cl)Cl)C(F)(F)F.
What is the InChIKey of 2-[dichloro(fluoro)methoxy]-1,1,1,2-tetrafluoroethane?
The InChIKey is SVCRBYWMLMKPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HCl2F5O/c4-3(5,10)11-1(6)2(7,8)9/h1H.
What are the key properties of 2-[dichloro(fluoro)methoxy]-1,1,1,2-tetrafluoroethane?
2-[dichloro(fluoro)methoxy]-1,1,1,2-tetrafluoroethane has a molecular weight of 218.94 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dichloro(fluoro)methoxy]-1,1,1,2-tetrafluoroethane is sourced from PubChem (CID 10242523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).