1,4-dichloro-1,1-difluorobutane

C4H6Cl2F2 — CID 11116368

IUPAC1,4-dichloro-1,1-difluorobutane
SMILESFC(F)(Cl)CCCCl
InChIInChI=1S/C4H6Cl2F2/c5-3-1-2-4(6,7)8/h1-3H2
InChIKeyOFOMWQXRWSSIMG-UHFFFAOYSA-N
MW162.99 g/mol
LogP2.84
Rot. Bonds3

About 1,4-dichloro-1,1-difluorobutane

1,4-dichloro-1,1-difluorobutane (PubChem CID 11116368) has the molecular formula C4H6Cl2F2 and a molecular weight of 162.99 g/mol. Its IUPAC name is 1,4-dichloro-1,1-difluorobutane.

Molecular Properties

Compound Name1,4-dichloro-1,1-difluorobutane
PubChem CID11116368
Molecular FormulaC4H6Cl2F2
Molecular Weight162.99 g/mol
Exact Mass161.98
IUPAC Name1,4-dichloro-1,1-difluorobutane
SMILESFC(F)(Cl)CCCCl
InChIInChI=1S/C4H6Cl2F2/c5-3-1-2-4(6,7)8/h1-3H2
InChIKeyOFOMWQXRWSSIMG-UHFFFAOYSA-N
XLogP2.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.99
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 1,4-dichloro-1,1-difluorobutane?
The IUPAC name of 1,4-dichloro-1,1-difluorobutane (CID 11116368) is 1,4-dichloro-1,1-difluorobutane.
What is the SMILES notation for 1,4-dichloro-1,1-difluorobutane?
The canonical SMILES for 1,4-dichloro-1,1-difluorobutane is FC(F)(Cl)CCCCl.
What is the InChIKey of 1,4-dichloro-1,1-difluorobutane?
The InChIKey is OFOMWQXRWSSIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6Cl2F2/c5-3-1-2-4(6,7)8/h1-3H2.
What are the key properties of 1,4-dichloro-1,1-difluorobutane?
1,4-dichloro-1,1-difluorobutane has a molecular weight of 162.99 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-1,1-difluorobutane is sourced from PubChem (CID 11116368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).