5-fluoro-2,4-dimethyl-2-propoxyoxolane

C9H17FO2 — CID 59010344

IUPAC5-fluoro-2,4-dimethyl-2-propoxyoxolane
SMILESCCCOC1(C)CC(C)C(F)O1
InChIInChI=1S/C9H17FO2/c1-4-5-11-9(3)6-7(2)8(10)12-9/h7-8H,4-6H2,1-3H3
InChIKeyQFWXVRDKVIYTLR-UHFFFAOYSA-N
MW176.23 g/mol
LogP2.48
Rot. Bonds3

About 5-fluoro-2,4-dimethyl-2-propoxyoxolane

5-fluoro-2,4-dimethyl-2-propoxyoxolane (PubChem CID 59010344) has the molecular formula C9H17FO2 and a molecular weight of 176.23 g/mol. Its IUPAC name is 5-fluoro-2,4-dimethyl-2-propoxyoxolane.

Molecular Properties

Compound Name5-fluoro-2,4-dimethyl-2-propoxyoxolane
PubChem CID59010344
Molecular FormulaC9H17FO2
Molecular Weight176.23 g/mol
Exact Mass176.12
IUPAC Name5-fluoro-2,4-dimethyl-2-propoxyoxolane
SMILESCCCOC1(C)CC(C)C(F)O1
InChIInChI=1S/C9H17FO2/c1-4-5-11-9(3)6-7(2)8(10)12-9/h7-8H,4-6H2,1-3H3
InChIKeyQFWXVRDKVIYTLR-UHFFFAOYSA-N
XLogP2.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.23
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,4-dimethyl-2-propoxyoxolane?
The IUPAC name of 5-fluoro-2,4-dimethyl-2-propoxyoxolane (CID 59010344) is 5-fluoro-2,4-dimethyl-2-propoxyoxolane.
What is the SMILES notation for 5-fluoro-2,4-dimethyl-2-propoxyoxolane?
The canonical SMILES for 5-fluoro-2,4-dimethyl-2-propoxyoxolane is CCCOC1(C)CC(C)C(F)O1.
What is the InChIKey of 5-fluoro-2,4-dimethyl-2-propoxyoxolane?
The InChIKey is QFWXVRDKVIYTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FO2/c1-4-5-11-9(3)6-7(2)8(10)12-9/h7-8H,4-6H2,1-3H3.
What are the key properties of 5-fluoro-2,4-dimethyl-2-propoxyoxolane?
5-fluoro-2,4-dimethyl-2-propoxyoxolane has a molecular weight of 176.23 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,4-dimethyl-2-propoxyoxolane is sourced from PubChem (CID 59010344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).