3-(chloromethyl)-2-(2,2,2-trifluoroethyl)oxolane

C7H10ClF3O — CID 164653986

IUPAC3-(chloromethyl)-2-(2,2,2-trifluoroethyl)oxolane
SMILESFC(F)(F)CC1OCCC1CCl
InChIInChI=1S/C7H10ClF3O/c8-4-5-1-2-12-6(5)3-7(9,10)11/h5-6H,1-4H2
InChIKeyXIWONITUVJDZHD-UHFFFAOYSA-N
MW202.60 g/mol
LogP2.58
Rot. Bonds2

About 3-(chloromethyl)-2-(2,2,2-trifluoroethyl)oxolane

3-(chloromethyl)-2-(2,2,2-trifluoroethyl)oxolane (PubChem CID 164653986) has the molecular formula C7H10ClF3O and a molecular weight of 202.60 g/mol. Its IUPAC name is 3-(chloromethyl)-2-(2,2,2-trifluoroethyl)oxolane.

Molecular Properties

Compound Name3-(chloromethyl)-2-(2,2,2-trifluoroethyl)oxolane
PubChem CID164653986
Molecular FormulaC7H10ClF3O
Molecular Weight202.60 g/mol
Exact Mass202.04
IUPAC Name3-(chloromethyl)-2-(2,2,2-trifluoroethyl)oxolane
SMILESFC(F)(F)CC1OCCC1CCl
InChIInChI=1S/C7H10ClF3O/c8-4-5-1-2-12-6(5)3-7(9,10)11/h5-6H,1-4H2
InChIKeyXIWONITUVJDZHD-UHFFFAOYSA-N
XLogP2.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.60
LogP ≤ 52.58
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 3-(chloromethyl)-2-(2,2,2-trifluoroethyl)oxolane?
The IUPAC name of 3-(chloromethyl)-2-(2,2,2-trifluoroethyl)oxolane (CID 164653986) is 3-(chloromethyl)-2-(2,2,2-trifluoroethyl)oxolane.
What is the SMILES notation for 3-(chloromethyl)-2-(2,2,2-trifluoroethyl)oxolane?
The canonical SMILES for 3-(chloromethyl)-2-(2,2,2-trifluoroethyl)oxolane is FC(F)(F)CC1OCCC1CCl.
What is the InChIKey of 3-(chloromethyl)-2-(2,2,2-trifluoroethyl)oxolane?
The InChIKey is XIWONITUVJDZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClF3O/c8-4-5-1-2-12-6(5)3-7(9,10)11/h5-6H,1-4H2.
What are the key properties of 3-(chloromethyl)-2-(2,2,2-trifluoroethyl)oxolane?
3-(chloromethyl)-2-(2,2,2-trifluoroethyl)oxolane has a molecular weight of 202.60 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-(2,2,2-trifluoroethyl)oxolane is sourced from PubChem (CID 164653986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).