1,1-dichloro-3-(3,3-dichloro-2,2-difluoropropoxy)-2,2-difluoropropane

C6H6Cl4F4O — CID 54069825

IUPAC1,1-dichloro-3-(3,3-dichloro-2,2-difluoropropoxy)-2,2-difluoropropane
SMILESFC(F)(COCC(F)(F)C(Cl)Cl)C(Cl)Cl
InChIInChI=1S/C6H6Cl4F4O/c7-3(8)5(11,12)1-15-2-6(13,14)4(9)10/h3-4H,1-2H2
InChIKeyMFQDDLJUJRTHFM-UHFFFAOYSA-N
MW311.92 g/mol
LogP3.88
Rot. Bonds6

About 1,1-dichloro-3-(3,3-dichloro-2,2-difluoropropoxy)-2,2-difluoropropane

1,1-dichloro-3-(3,3-dichloro-2,2-difluoropropoxy)-2,2-difluoropropane (PubChem CID 54069825) has the molecular formula C6H6Cl4F4O and a molecular weight of 311.92 g/mol. Its IUPAC name is 1,1-dichloro-3-(3,3-dichloro-2,2-difluoropropoxy)-2,2-difluoropropane.

Molecular Properties

Compound Name1,1-dichloro-3-(3,3-dichloro-2,2-difluoropropoxy)-2,2-difluoropropane
PubChem CID54069825
Molecular FormulaC6H6Cl4F4O
Molecular Weight311.92 g/mol
Exact Mass309.91
IUPAC Name1,1-dichloro-3-(3,3-dichloro-2,2-difluoropropoxy)-2,2-difluoropropane
SMILESFC(F)(COCC(F)(F)C(Cl)Cl)C(Cl)Cl
InChIInChI=1S/C6H6Cl4F4O/c7-3(8)5(11,12)1-15-2-6(13,14)4(9)10/h3-4H,1-2H2
InChIKeyMFQDDLJUJRTHFM-UHFFFAOYSA-N
XLogP3.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.92
LogP ≤ 53.88
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-3-(3,3-dichloro-2,2-difluoropropoxy)-2,2-difluoropropane?
The IUPAC name of 1,1-dichloro-3-(3,3-dichloro-2,2-difluoropropoxy)-2,2-difluoropropane (CID 54069825) is 1,1-dichloro-3-(3,3-dichloro-2,2-difluoropropoxy)-2,2-difluoropropane.
What is the SMILES notation for 1,1-dichloro-3-(3,3-dichloro-2,2-difluoropropoxy)-2,2-difluoropropane?
The canonical SMILES for 1,1-dichloro-3-(3,3-dichloro-2,2-difluoropropoxy)-2,2-difluoropropane is FC(F)(COCC(F)(F)C(Cl)Cl)C(Cl)Cl.
What is the InChIKey of 1,1-dichloro-3-(3,3-dichloro-2,2-difluoropropoxy)-2,2-difluoropropane?
The InChIKey is MFQDDLJUJRTHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl4F4O/c7-3(8)5(11,12)1-15-2-6(13,14)4(9)10/h3-4H,1-2H2.
What are the key properties of 1,1-dichloro-3-(3,3-dichloro-2,2-difluoropropoxy)-2,2-difluoropropane?
1,1-dichloro-3-(3,3-dichloro-2,2-difluoropropoxy)-2,2-difluoropropane has a molecular weight of 311.92 g/mol, XLogP of 3.88, 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-2,2-difluoropropoxy)-2,2-difluoropropane is sourced from PubChem (CID 54069825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).