1-(chloromethoxy)-1,1,2-trifluoroethane

C3H4ClF3O — CID 55301486

IUPAC1-(chloromethoxy)-1,1,2-trifluoroethane
SMILESFCC(F)(F)OCCl
InChIInChI=1S/C3H4ClF3O/c4-2-8-3(6,7)1-5/h1-2H2
InChIKeyXBIKIADZHRQXTF-UHFFFAOYSA-N
MW148.51 g/mol
LogP1.76
Rot. Bonds3

About 1-(chloromethoxy)-1,1,2-trifluoroethane

1-(chloromethoxy)-1,1,2-trifluoroethane (PubChem CID 55301486) has the molecular formula C3H4ClF3O and a molecular weight of 148.51 g/mol. Its IUPAC name is 1-(chloromethoxy)-1,1,2-trifluoroethane.

Molecular Properties

Compound Name1-(chloromethoxy)-1,1,2-trifluoroethane
PubChem CID55301486
Molecular FormulaC3H4ClF3O
Molecular Weight148.51 g/mol
Exact Mass147.99
IUPAC Name1-(chloromethoxy)-1,1,2-trifluoroethane
SMILESFCC(F)(F)OCCl
InChIInChI=1S/C3H4ClF3O/c4-2-8-3(6,7)1-5/h1-2H2
InChIKeyXBIKIADZHRQXTF-UHFFFAOYSA-N
XLogP1.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.51
LogP ≤ 51.76
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)-1,1,2-trifluoroethane?
The IUPAC name of 1-(chloromethoxy)-1,1,2-trifluoroethane (CID 55301486) is 1-(chloromethoxy)-1,1,2-trifluoroethane.
What is the SMILES notation for 1-(chloromethoxy)-1,1,2-trifluoroethane?
The canonical SMILES for 1-(chloromethoxy)-1,1,2-trifluoroethane is FCC(F)(F)OCCl.
What is the InChIKey of 1-(chloromethoxy)-1,1,2-trifluoroethane?
The InChIKey is XBIKIADZHRQXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4ClF3O/c4-2-8-3(6,7)1-5/h1-2H2.
What are the key properties of 1-(chloromethoxy)-1,1,2-trifluoroethane?
1-(chloromethoxy)-1,1,2-trifluoroethane has a molecular weight of 148.51 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethoxy)-1,1,2-trifluoroethane is sourced from PubChem (CID 55301486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).