1,2-dichloro-3-ethoxy-1,2-difluorobutane

C6H10Cl2F2O — CID 54518491

IUPAC1,2-dichloro-3-ethoxy-1,2-difluorobutane
SMILESCCOC(C)C(F)(Cl)C(F)Cl
InChIInChI=1S/C6H10Cl2F2O/c1-3-11-4(2)6(8,10)5(7)9/h4-5H,3H2,1-2H3
InChIKeyYOBQMKJGYHJENC-UHFFFAOYSA-N
MW207.05 g/mol
LogP2.85
Rot. Bonds4

About 1,2-dichloro-3-ethoxy-1,2-difluorobutane

1,2-dichloro-3-ethoxy-1,2-difluorobutane (PubChem CID 54518491) has the molecular formula C6H10Cl2F2O and a molecular weight of 207.05 g/mol. Its IUPAC name is 1,2-dichloro-3-ethoxy-1,2-difluorobutane.

Molecular Properties

Compound Name1,2-dichloro-3-ethoxy-1,2-difluorobutane
PubChem CID54518491
Molecular FormulaC6H10Cl2F2O
Molecular Weight207.05 g/mol
Exact Mass206.01
IUPAC Name1,2-dichloro-3-ethoxy-1,2-difluorobutane
SMILESCCOC(C)C(F)(Cl)C(F)Cl
InChIInChI=1S/C6H10Cl2F2O/c1-3-11-4(2)6(8,10)5(7)9/h4-5H,3H2,1-2H3
InChIKeyYOBQMKJGYHJENC-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.05
LogP ≤ 52.85
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-ethoxy-1,2-difluorobutane?
The IUPAC name of 1,2-dichloro-3-ethoxy-1,2-difluorobutane (CID 54518491) is 1,2-dichloro-3-ethoxy-1,2-difluorobutane.
What is the SMILES notation for 1,2-dichloro-3-ethoxy-1,2-difluorobutane?
The canonical SMILES for 1,2-dichloro-3-ethoxy-1,2-difluorobutane is CCOC(C)C(F)(Cl)C(F)Cl.
What is the InChIKey of 1,2-dichloro-3-ethoxy-1,2-difluorobutane?
The InChIKey is YOBQMKJGYHJENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Cl2F2O/c1-3-11-4(2)6(8,10)5(7)9/h4-5H,3H2,1-2H3.
What are the key properties of 1,2-dichloro-3-ethoxy-1,2-difluorobutane?
1,2-dichloro-3-ethoxy-1,2-difluorobutane has a molecular weight of 207.05 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3-ethoxy-1,2-difluorobutane is sourced from PubChem (CID 54518491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).