1,2-dichloro-3-(3,4-dichloro-3,4-difluorobutan-2-yl)oxy-1,2-difluorobutane

C8H10Cl4F4O — CID 57197800

IUPAC1,2-dichloro-3-(3,4-dichloro-3,4-difluorobutan-2-yl)oxy-1,2-difluorobutane
SMILESCC(OC(C)C(F)(Cl)C(F)Cl)C(F)(Cl)C(F)Cl
InChIInChI=1S/C8H10Cl4F4O/c1-3(7(11,15)5(9)13)17-4(2)8(12,16)6(10)14/h3-6H,1-2H3
InChIKeyZTVPVMPJWOCTAV-UHFFFAOYSA-N
MW339.97 g/mol
LogP4.66
Rot. Bonds6

About 1,2-dichloro-3-(3,4-dichloro-3,4-difluorobutan-2-yl)oxy-1,2-difluorobutane

1,2-dichloro-3-(3,4-dichloro-3,4-difluorobutan-2-yl)oxy-1,2-difluorobutane (PubChem CID 57197800) has the molecular formula C8H10Cl4F4O and a molecular weight of 339.97 g/mol. Its IUPAC name is 1,2-dichloro-3-(3,4-dichloro-3,4-difluorobutan-2-yl)oxy-1,2-difluorobutane.

Molecular Properties

Compound Name1,2-dichloro-3-(3,4-dichloro-3,4-difluorobutan-2-yl)oxy-1,2-difluorobutane
PubChem CID57197800
Molecular FormulaC8H10Cl4F4O
Molecular Weight339.97 g/mol
Exact Mass337.94
IUPAC Name1,2-dichloro-3-(3,4-dichloro-3,4-difluorobutan-2-yl)oxy-1,2-difluorobutane
SMILESCC(OC(C)C(F)(Cl)C(F)Cl)C(F)(Cl)C(F)Cl
InChIInChI=1S/C8H10Cl4F4O/c1-3(7(11,15)5(9)13)17-4(2)8(12,16)6(10)14/h3-6H,1-2H3
InChIKeyZTVPVMPJWOCTAV-UHFFFAOYSA-N
XLogP4.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.97
LogP ≤ 54.66
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-3-(3,4-dichloro-3,4-difluorobutan-2-yl)oxy-1,2-difluorobutane?
The IUPAC name of 1,2-dichloro-3-(3,4-dichloro-3,4-difluorobutan-2-yl)oxy-1,2-difluorobutane (CID 57197800) is 1,2-dichloro-3-(3,4-dichloro-3,4-difluorobutan-2-yl)oxy-1,2-difluorobutane.
What is the SMILES notation for 1,2-dichloro-3-(3,4-dichloro-3,4-difluorobutan-2-yl)oxy-1,2-difluorobutane?
The canonical SMILES for 1,2-dichloro-3-(3,4-dichloro-3,4-difluorobutan-2-yl)oxy-1,2-difluorobutane is CC(OC(C)C(F)(Cl)C(F)Cl)C(F)(Cl)C(F)Cl.
What is the InChIKey of 1,2-dichloro-3-(3,4-dichloro-3,4-difluorobutan-2-yl)oxy-1,2-difluorobutane?
The InChIKey is ZTVPVMPJWOCTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl4F4O/c1-3(7(11,15)5(9)13)17-4(2)8(12,16)6(10)14/h3-6H,1-2H3.
What are the key properties of 1,2-dichloro-3-(3,4-dichloro-3,4-difluorobutan-2-yl)oxy-1,2-difluorobutane?
1,2-dichloro-3-(3,4-dichloro-3,4-difluorobutan-2-yl)oxy-1,2-difluorobutane has a molecular weight of 339.97 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3-(3,4-dichloro-3,4-difluorobutan-2-yl)oxy-1,2-difluorobutane is sourced from PubChem (CID 57197800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).