1,2-dichloro-4-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,3,3,4,5,5,5-nonafluoropentane

C7Cl4F12O — CID 15606311

IUPAC1,2-dichloro-4-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,3,3,4,5,5,5-nonafluoropentane
SMILESFC(F)(F)C(F)(OC(F)(Cl)C(F)(F)Cl)C(F)(F)C(F)(Cl)C(F)(F)Cl
InChIInChI=1S/C7Cl4F12O/c8-1(12,4(9,16)17)2(13,14)3(15,7(21,22)23)24-6(11,20)5(10,18)19
InChIKeyBWURKKZCFSYYIV-UHFFFAOYSA-N
MW469.86 g/mol
LogP6.30
Rot. Bonds6

About 1,2-dichloro-4-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,3,3,4,5,5,5-nonafluoropentane

1,2-dichloro-4-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,3,3,4,5,5,5-nonafluoropentane (PubChem CID 15606311) has the molecular formula C7Cl4F12O and a molecular weight of 469.86 g/mol. Its IUPAC name is 1,2-dichloro-4-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,3,3,4,5,5,5-nonafluoropentane.

Molecular Properties

Compound Name1,2-dichloro-4-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,3,3,4,5,5,5-nonafluoropentane
PubChem CID15606311
Molecular FormulaC7Cl4F12O
Molecular Weight469.86 g/mol
Exact Mass467.85
IUPAC Name1,2-dichloro-4-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,3,3,4,5,5,5-nonafluoropentane
SMILESFC(F)(F)C(F)(OC(F)(Cl)C(F)(F)Cl)C(F)(F)C(F)(Cl)C(F)(F)Cl
InChIInChI=1S/C7Cl4F12O/c8-1(12,4(9,16)17)2(13,14)3(15,7(21,22)23)24-6(11,20)5(10,18)19
InChIKeyBWURKKZCFSYYIV-UHFFFAOYSA-N
XLogP6.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.86
LogP ≤ 56.30
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 1,2-dichloro-4-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,3,3,4,5,5,5-nonafluoropentane?
The IUPAC name of 1,2-dichloro-4-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,3,3,4,5,5,5-nonafluoropentane (CID 15606311) is 1,2-dichloro-4-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,3,3,4,5,5,5-nonafluoropentane.
What is the SMILES notation for 1,2-dichloro-4-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,3,3,4,5,5,5-nonafluoropentane?
The canonical SMILES for 1,2-dichloro-4-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,3,3,4,5,5,5-nonafluoropentane is FC(F)(F)C(F)(OC(F)(Cl)C(F)(F)Cl)C(F)(F)C(F)(Cl)C(F)(F)Cl.
What is the InChIKey of 1,2-dichloro-4-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,3,3,4,5,5,5-nonafluoropentane?
The InChIKey is BWURKKZCFSYYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7Cl4F12O/c8-1(12,4(9,16)17)2(13,14)3(15,7(21,22)23)24-6(11,20)5(10,18)19.
What are the key properties of 1,2-dichloro-4-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,3,3,4,5,5,5-nonafluoropentane?
1,2-dichloro-4-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,3,3,4,5,5,5-nonafluoropentane has a molecular weight of 469.86 g/mol, XLogP of 6.30, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,3,3,4,5,5,5-nonafluoropentane is sourced from PubChem (CID 15606311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).