2-chloro-5-ethyl-3-fluoro-4-methyloxolane

C7H12ClFO — CID 21040897

IUPAC2-chloro-5-ethyl-3-fluoro-4-methyloxolane
SMILESCCC1OC(Cl)C(F)C1C
InChIInChI=1S/C7H12ClFO/c1-3-5-4(2)6(9)7(8)10-5/h4-7H,3H2,1-2H3
InChIKeyIFPQGJJBPIJJQL-UHFFFAOYSA-N
MW166.62 g/mol
LogP2.33
Rot. Bonds1

About 2-chloro-5-ethyl-3-fluoro-4-methyloxolane

2-chloro-5-ethyl-3-fluoro-4-methyloxolane (PubChem CID 21040897) has the molecular formula C7H12ClFO and a molecular weight of 166.62 g/mol. Its IUPAC name is 2-chloro-5-ethyl-3-fluoro-4-methyloxolane.

Molecular Properties

Compound Name2-chloro-5-ethyl-3-fluoro-4-methyloxolane
PubChem CID21040897
Molecular FormulaC7H12ClFO
Molecular Weight166.62 g/mol
Exact Mass166.06
IUPAC Name2-chloro-5-ethyl-3-fluoro-4-methyloxolane
SMILESCCC1OC(Cl)C(F)C1C
InChIInChI=1S/C7H12ClFO/c1-3-5-4(2)6(9)7(8)10-5/h4-7H,3H2,1-2H3
InChIKeyIFPQGJJBPIJJQL-UHFFFAOYSA-N
XLogP2.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.62
LogP ≤ 52.33
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 2-chloro-5-ethyl-3-fluoro-4-methyloxolane?
The IUPAC name of 2-chloro-5-ethyl-3-fluoro-4-methyloxolane (CID 21040897) is 2-chloro-5-ethyl-3-fluoro-4-methyloxolane.
What is the SMILES notation for 2-chloro-5-ethyl-3-fluoro-4-methyloxolane?
The canonical SMILES for 2-chloro-5-ethyl-3-fluoro-4-methyloxolane is CCC1OC(Cl)C(F)C1C.
What is the InChIKey of 2-chloro-5-ethyl-3-fluoro-4-methyloxolane?
The InChIKey is IFPQGJJBPIJJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClFO/c1-3-5-4(2)6(9)7(8)10-5/h4-7H,3H2,1-2H3.
What are the key properties of 2-chloro-5-ethyl-3-fluoro-4-methyloxolane?
2-chloro-5-ethyl-3-fluoro-4-methyloxolane has a molecular weight of 166.62 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-ethyl-3-fluoro-4-methyloxolane is sourced from PubChem (CID 21040897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).