1-(chloromethoxy)-1,1-difluoroethane

C3H5ClF2O — CID 20579837

IUPAC1-(chloromethoxy)-1,1-difluoroethane
SMILESCC(F)(F)OCCl
InChIInChI=1S/C3H5ClF2O/c1-3(5,6)7-2-4/h2H2,1H3
InChIKeyKLQJTFULQXCGSG-UHFFFAOYSA-N
MW130.52 g/mol
LogP1.81
Rot. Bonds2

About 1-(chloromethoxy)-1,1-difluoroethane

1-(chloromethoxy)-1,1-difluoroethane (PubChem CID 20579837) has the molecular formula C3H5ClF2O and a molecular weight of 130.52 g/mol. Its IUPAC name is 1-(chloromethoxy)-1,1-difluoroethane.

Molecular Properties

Compound Name1-(chloromethoxy)-1,1-difluoroethane
PubChem CID20579837
Molecular FormulaC3H5ClF2O
Molecular Weight130.52 g/mol
Exact Mass130.00
IUPAC Name1-(chloromethoxy)-1,1-difluoroethane
SMILESCC(F)(F)OCCl
InChIInChI=1S/C3H5ClF2O/c1-3(5,6)7-2-4/h2H2,1H3
InChIKeyKLQJTFULQXCGSG-UHFFFAOYSA-N
XLogP1.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.52
LogP ≤ 51.81
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-(chloromethoxy)-1,1-difluoroethane?
The IUPAC name of 1-(chloromethoxy)-1,1-difluoroethane (CID 20579837) is 1-(chloromethoxy)-1,1-difluoroethane.
What is the SMILES notation for 1-(chloromethoxy)-1,1-difluoroethane?
The canonical SMILES for 1-(chloromethoxy)-1,1-difluoroethane is CC(F)(F)OCCl.
What is the InChIKey of 1-(chloromethoxy)-1,1-difluoroethane?
The InChIKey is KLQJTFULQXCGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClF2O/c1-3(5,6)7-2-4/h2H2,1H3.
What are the key properties of 1-(chloromethoxy)-1,1-difluoroethane?
1-(chloromethoxy)-1,1-difluoroethane has a molecular weight of 130.52 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethoxy)-1,1-difluoroethane is sourced from PubChem (CID 20579837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).