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

C5Cl2F10O — CID 10042673

IUPAC1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,2,3,3,3-heptafluoropropane
SMILESFC(F)(F)C(F)(F)C(F)(F)OC(F)(Cl)C(F)(F)Cl
InChIInChI=1S/C5Cl2F10O/c6-2(10,11)3(7,12)18-5(16,17)1(8,9)4(13,14)15
InChIKeyRDUGZRZKLLEFFJ-UHFFFAOYSA-N
MW336.94 g/mol
LogP4.49
Rot. Bonds4

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

1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,2,3,3,3-heptafluoropropane (PubChem CID 10042673) has the molecular formula C5Cl2F10O and a molecular weight of 336.94 g/mol. Its IUPAC name is 1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,2,3,3,3-heptafluoropropane.

Molecular Properties

Compound Name1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,2,3,3,3-heptafluoropropane
PubChem CID10042673
Molecular FormulaC5Cl2F10O
Molecular Weight336.94 g/mol
Exact Mass335.92
IUPAC Name1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,2,3,3,3-heptafluoropropane
SMILESFC(F)(F)C(F)(F)C(F)(F)OC(F)(Cl)C(F)(F)Cl
InChIInChI=1S/C5Cl2F10O/c6-2(10,11)3(7,12)18-5(16,17)1(8,9)4(13,14)15
InChIKeyRDUGZRZKLLEFFJ-UHFFFAOYSA-N
XLogP4.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,2,3,3,3-heptafluoropropane?
The IUPAC name of 1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,2,3,3,3-heptafluoropropane (CID 10042673) is 1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,2,3,3,3-heptafluoropropane.
What is the SMILES notation for 1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,2,3,3,3-heptafluoropropane?
The canonical SMILES for 1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,2,3,3,3-heptafluoropropane is FC(F)(F)C(F)(F)C(F)(F)OC(F)(Cl)C(F)(F)Cl.
What is the InChIKey of 1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,2,3,3,3-heptafluoropropane?
The InChIKey is RDUGZRZKLLEFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5Cl2F10O/c6-2(10,11)3(7,12)18-5(16,17)1(8,9)4(13,14)15.
What are the key properties of 1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,2,3,3,3-heptafluoropropane?
1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,2,3,3,3-heptafluoropropane has a molecular weight of 336.94 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,2,3,3,3-heptafluoropropane is sourced from PubChem (CID 10042673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).