1,1-dichloro-1,2,2-trifluoro-2-(1,2,2-trichloro-1,2-difluoroethoxy)ethane

C4Cl5F5O — CID 59509934

IUPAC1,1-dichloro-1,2,2-trifluoro-2-(1,2,2-trichloro-1,2-difluoroethoxy)ethane
SMILESFC(Cl)(Cl)C(F)(F)OC(F)(Cl)C(F)(Cl)Cl
InChIInChI=1S/C4Cl5F5O/c5-1(6,10)3(9,12)15-4(13,14)2(7,8)11
InChIKeyHWSUENUUQFNDJU-UHFFFAOYSA-N
MW336.30 g/mol
LogP4.66
Rot. Bonds4

About 1,1-dichloro-1,2,2-trifluoro-2-(1,2,2-trichloro-1,2-difluoroethoxy)ethane

1,1-dichloro-1,2,2-trifluoro-2-(1,2,2-trichloro-1,2-difluoroethoxy)ethane (PubChem CID 59509934) has the molecular formula C4Cl5F5O and a molecular weight of 336.30 g/mol. Its IUPAC name is 1,1-dichloro-1,2,2-trifluoro-2-(1,2,2-trichloro-1,2-difluoroethoxy)ethane.

Molecular Properties

Compound Name1,1-dichloro-1,2,2-trifluoro-2-(1,2,2-trichloro-1,2-difluoroethoxy)ethane
PubChem CID59509934
Molecular FormulaC4Cl5F5O
Molecular Weight336.30 g/mol
Exact Mass333.83
IUPAC Name1,1-dichloro-1,2,2-trifluoro-2-(1,2,2-trichloro-1,2-difluoroethoxy)ethane
SMILESFC(Cl)(Cl)C(F)(F)OC(F)(Cl)C(F)(Cl)Cl
InChIInChI=1S/C4Cl5F5O/c5-1(6,10)3(9,12)15-4(13,14)2(7,8)11
InChIKeyHWSUENUUQFNDJU-UHFFFAOYSA-N
XLogP4.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.30
LogP ≤ 54.66
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 1,1-dichloro-1,2,2-trifluoro-2-(1,2,2-trichloro-1,2-difluoroethoxy)ethane?
The IUPAC name of 1,1-dichloro-1,2,2-trifluoro-2-(1,2,2-trichloro-1,2-difluoroethoxy)ethane (CID 59509934) is 1,1-dichloro-1,2,2-trifluoro-2-(1,2,2-trichloro-1,2-difluoroethoxy)ethane.
What is the SMILES notation for 1,1-dichloro-1,2,2-trifluoro-2-(1,2,2-trichloro-1,2-difluoroethoxy)ethane?
The canonical SMILES for 1,1-dichloro-1,2,2-trifluoro-2-(1,2,2-trichloro-1,2-difluoroethoxy)ethane is FC(Cl)(Cl)C(F)(F)OC(F)(Cl)C(F)(Cl)Cl.
What is the InChIKey of 1,1-dichloro-1,2,2-trifluoro-2-(1,2,2-trichloro-1,2-difluoroethoxy)ethane?
The InChIKey is HWSUENUUQFNDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4Cl5F5O/c5-1(6,10)3(9,12)15-4(13,14)2(7,8)11.
What are the key properties of 1,1-dichloro-1,2,2-trifluoro-2-(1,2,2-trichloro-1,2-difluoroethoxy)ethane?
1,1-dichloro-1,2,2-trifluoro-2-(1,2,2-trichloro-1,2-difluoroethoxy)ethane has a molecular weight of 336.30 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-1,2,2-trifluoro-2-(1,2,2-trichloro-1,2-difluoroethoxy)ethane is sourced from PubChem (CID 59509934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).