2-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,1,2,3,3,3-heptafluoropropane

C5Cl2F10O — CID 3020928

IUPAC2-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,1,2,3,3,3-heptafluoropropane
SMILESFC(F)(F)C(F)(OC(F)(Cl)C(F)(F)Cl)C(F)(F)F
InChIInChI=1S/C5Cl2F10O/c6-2(9,10)3(7,11)18-1(8,4(12,13)14)5(15,16)17
InChIKeyZLYQMQIBEIPMSS-UHFFFAOYSA-N
MW336.94 g/mol
LogP4.49
Rot. Bonds3

About 2-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,1,2,3,3,3-heptafluoropropane

2-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,1,2,3,3,3-heptafluoropropane (PubChem CID 3020928) has the molecular formula C5Cl2F10O and a molecular weight of 336.94 g/mol. Its IUPAC name is 2-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,1,2,3,3,3-heptafluoropropane.

Molecular Properties

Compound Name2-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,1,2,3,3,3-heptafluoropropane
PubChem CID3020928
Molecular FormulaC5Cl2F10O
Molecular Weight336.94 g/mol
Exact Mass335.92
IUPAC Name2-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,1,2,3,3,3-heptafluoropropane
SMILESFC(F)(F)C(F)(OC(F)(Cl)C(F)(F)Cl)C(F)(F)F
InChIInChI=1S/C5Cl2F10O/c6-2(9,10)3(7,11)18-1(8,4(12,13)14)5(15,16)17
InChIKeyZLYQMQIBEIPMSS-UHFFFAOYSA-N
XLogP4.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.94
LogP ≤ 54.49
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-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,1,2,3,3,3-heptafluoropropane?
The IUPAC name of 2-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,1,2,3,3,3-heptafluoropropane (CID 3020928) is 2-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,1,2,3,3,3-heptafluoropropane.
What is the SMILES notation for 2-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,1,2,3,3,3-heptafluoropropane?
The canonical SMILES for 2-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,1,2,3,3,3-heptafluoropropane is FC(F)(F)C(F)(OC(F)(Cl)C(F)(F)Cl)C(F)(F)F.
What is the InChIKey of 2-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,1,2,3,3,3-heptafluoropropane?
The InChIKey is ZLYQMQIBEIPMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5Cl2F10O/c6-2(9,10)3(7,11)18-1(8,4(12,13)14)5(15,16)17.
What are the key properties of 2-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,1,2,3,3,3-heptafluoropropane?
2-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,1,2,3,3,3-heptafluoropropane has a molecular weight of 336.94 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,1,2,3,3,3-heptafluoropropane is sourced from PubChem (CID 3020928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).