1,1-dichloro-3-(3,3-dichloro-1,1,2,2,3-pentafluoropropoxy)-1,2,2,3,3-pentafluoropropane

C6Cl4F10O — CID 154194307

IUPAC1,1-dichloro-3-(3,3-dichloro-1,1,2,2,3-pentafluoropropoxy)-1,2,2,3,3-pentafluoropropane
SMILESFC(Cl)(Cl)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(Cl)Cl
InChIInChI=1S/C6Cl4F10O/c7-3(8,15)1(11,12)5(17,18)21-6(19,20)2(13,14)4(9,10)16
InChIKeyKIQBZDQSWCORPA-UHFFFAOYSA-N
MW419.86 g/mol
LogP5.66
Rot. Bonds6

About 1,1-dichloro-3-(3,3-dichloro-1,1,2,2,3-pentafluoropropoxy)-1,2,2,3,3-pentafluoropropane

1,1-dichloro-3-(3,3-dichloro-1,1,2,2,3-pentafluoropropoxy)-1,2,2,3,3-pentafluoropropane (PubChem CID 154194307) has the molecular formula C6Cl4F10O and a molecular weight of 419.86 g/mol. Its IUPAC name is 1,1-dichloro-3-(3,3-dichloro-1,1,2,2,3-pentafluoropropoxy)-1,2,2,3,3-pentafluoropropane.

Molecular Properties

Compound Name1,1-dichloro-3-(3,3-dichloro-1,1,2,2,3-pentafluoropropoxy)-1,2,2,3,3-pentafluoropropane
PubChem CID154194307
Molecular FormulaC6Cl4F10O
Molecular Weight419.86 g/mol
Exact Mass417.85
IUPAC Name1,1-dichloro-3-(3,3-dichloro-1,1,2,2,3-pentafluoropropoxy)-1,2,2,3,3-pentafluoropropane
SMILESFC(Cl)(Cl)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(Cl)Cl
InChIInChI=1S/C6Cl4F10O/c7-3(8,15)1(11,12)5(17,18)21-6(19,20)2(13,14)4(9,10)16
InChIKeyKIQBZDQSWCORPA-UHFFFAOYSA-N
XLogP5.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.86
LogP ≤ 55.66
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-dichloro-3-(3,3-dichloro-1,1,2,2,3-pentafluoropropoxy)-1,2,2,3,3-pentafluoropropane?
The IUPAC name of 1,1-dichloro-3-(3,3-dichloro-1,1,2,2,3-pentafluoropropoxy)-1,2,2,3,3-pentafluoropropane (CID 154194307) is 1,1-dichloro-3-(3,3-dichloro-1,1,2,2,3-pentafluoropropoxy)-1,2,2,3,3-pentafluoropropane.
What is the SMILES notation for 1,1-dichloro-3-(3,3-dichloro-1,1,2,2,3-pentafluoropropoxy)-1,2,2,3,3-pentafluoropropane?
The canonical SMILES for 1,1-dichloro-3-(3,3-dichloro-1,1,2,2,3-pentafluoropropoxy)-1,2,2,3,3-pentafluoropropane is FC(Cl)(Cl)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(Cl)Cl.
What is the InChIKey of 1,1-dichloro-3-(3,3-dichloro-1,1,2,2,3-pentafluoropropoxy)-1,2,2,3,3-pentafluoropropane?
The InChIKey is KIQBZDQSWCORPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6Cl4F10O/c7-3(8,15)1(11,12)5(17,18)21-6(19,20)2(13,14)4(9,10)16.
What are the key properties of 1,1-dichloro-3-(3,3-dichloro-1,1,2,2,3-pentafluoropropoxy)-1,2,2,3,3-pentafluoropropane?
1,1-dichloro-3-(3,3-dichloro-1,1,2,2,3-pentafluoropropoxy)-1,2,2,3,3-pentafluoropropane has a molecular weight of 419.86 g/mol, XLogP of 5.66, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-3-(3,3-dichloro-1,1,2,2,3-pentafluoropropoxy)-1,2,2,3,3-pentafluoropropane is sourced from PubChem (CID 154194307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).