2-ethyl-2-[(2-fluorophenyl)methoxymethyl]-5,5-dimethyloxolane

C16H23FO2 — CID 3771225

IUPAC2-ethyl-2-[(2-fluorophenyl)methoxymethyl]-5,5-dimethyloxolane
SMILESCCC1(COCc2ccccc2F)CCC(C)(C)O1
InChIInChI=1S/C16H23FO2/c1-4-16(10-9-15(2,3)19-16)12-18-11-13-7-5-6-8-14(13)17/h5-8H,4,9-12H2,1-3H3
InChIKeyWUHXBAXZWLXJPI-UHFFFAOYSA-N
MW266.36 g/mol
LogP4.08
Rot. Bonds5

About 2-ethyl-2-[(2-fluorophenyl)methoxymethyl]-5,5-dimethyloxolane

2-ethyl-2-[(2-fluorophenyl)methoxymethyl]-5,5-dimethyloxolane (PubChem CID 3771225) has the molecular formula C16H23FO2 and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-ethyl-2-[(2-fluorophenyl)methoxymethyl]-5,5-dimethyloxolane.

Molecular Properties

Compound Name2-ethyl-2-[(2-fluorophenyl)methoxymethyl]-5,5-dimethyloxolane
PubChem CID3771225
Molecular FormulaC16H23FO2
Molecular Weight266.36 g/mol
Exact Mass266.17
IUPAC Name2-ethyl-2-[(2-fluorophenyl)methoxymethyl]-5,5-dimethyloxolane
SMILESCCC1(COCc2ccccc2F)CCC(C)(C)O1
InChIInChI=1S/C16H23FO2/c1-4-16(10-9-15(2,3)19-16)12-18-11-13-7-5-6-8-14(13)17/h5-8H,4,9-12H2,1-3H3
InChIKeyWUHXBAXZWLXJPI-UHFFFAOYSA-N
XLogP4.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(2-fluorophenyl)methoxymethyl]-5,5-dimethyloxolane?
The IUPAC name of 2-ethyl-2-[(2-fluorophenyl)methoxymethyl]-5,5-dimethyloxolane (CID 3771225) is 2-ethyl-2-[(2-fluorophenyl)methoxymethyl]-5,5-dimethyloxolane.
What is the SMILES notation for 2-ethyl-2-[(2-fluorophenyl)methoxymethyl]-5,5-dimethyloxolane?
The canonical SMILES for 2-ethyl-2-[(2-fluorophenyl)methoxymethyl]-5,5-dimethyloxolane is CCC1(COCc2ccccc2F)CCC(C)(C)O1.
What is the InChIKey of 2-ethyl-2-[(2-fluorophenyl)methoxymethyl]-5,5-dimethyloxolane?
The InChIKey is WUHXBAXZWLXJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FO2/c1-4-16(10-9-15(2,3)19-16)12-18-11-13-7-5-6-8-14(13)17/h5-8H,4,9-12H2,1-3H3.
What are the key properties of 2-ethyl-2-[(2-fluorophenyl)methoxymethyl]-5,5-dimethyloxolane?
2-ethyl-2-[(2-fluorophenyl)methoxymethyl]-5,5-dimethyloxolane has a molecular weight of 266.36 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(2-fluorophenyl)methoxymethyl]-5,5-dimethyloxolane is sourced from PubChem (CID 3771225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).