3-(4-fluoro-2-propan-2-ylphenoxy)oxolane

C13H17FO2 — CID 164786398

IUPAC3-(4-fluoro-2-propan-2-ylphenoxy)oxolane
SMILESCC(C)c1cc(F)ccc1OC1CCOC1
InChIInChI=1S/C13H17FO2/c1-9(2)12-7-10(14)3-4-13(12)16-11-5-6-15-8-11/h3-4,7,9,11H,5-6,8H2,1-2H3
InChIKeyHSMYSZNINZWZPB-UHFFFAOYSA-N
MW224.28 g/mol
LogP3.12
Rot. Bonds3

About 3-(4-fluoro-2-propan-2-ylphenoxy)oxolane

3-(4-fluoro-2-propan-2-ylphenoxy)oxolane (PubChem CID 164786398) has the molecular formula C13H17FO2 and a molecular weight of 224.28 g/mol. Its IUPAC name is 3-(4-fluoro-2-propan-2-ylphenoxy)oxolane.

Molecular Properties

Compound Name3-(4-fluoro-2-propan-2-ylphenoxy)oxolane
PubChem CID164786398
Molecular FormulaC13H17FO2
Molecular Weight224.28 g/mol
Exact Mass224.12
IUPAC Name3-(4-fluoro-2-propan-2-ylphenoxy)oxolane
SMILESCC(C)c1cc(F)ccc1OC1CCOC1
InChIInChI=1S/C13H17FO2/c1-9(2)12-7-10(14)3-4-13(12)16-11-5-6-15-8-11/h3-4,7,9,11H,5-6,8H2,1-2H3
InChIKeyHSMYSZNINZWZPB-UHFFFAOYSA-N
XLogP3.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]ethanol
CID 63557560
1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-N-methylethanamine
CID 63556776
N-ethyl-1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]ethanamine
CID 63556969
(3S)-3-(2-bromo-5-fluorophenoxy)oxolane
CID 118590561
[5-fluoro-2-(oxolan-3-yloxy)phenyl]methanamine
CID 63673157
1-[2-(oxolan-3-yloxy)phenyl]ethanol
CID 63558983
1-[5-methyl-2-(oxolan-3-yloxy)phenyl]ethanamine
CID 63557142
(1R)-1-[5-bromo-2-(oxolan-3-yloxy)phenyl]ethanamine
CID 63556778
(1R)-1-[3-fluoro-4-(oxolan-3-yloxy)phenyl]ethanamine
CID 63558652
N-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]ethanamine
CID 107695497
3-(5-fluoro-2-methylphenoxy)oxane
CID 107137933
(1R)-1-[2-fluoro-6-(oxolan-3-yloxy)phenyl]ethanamine
CID 63559068

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-propan-2-ylphenoxy)oxolane?
The IUPAC name of 3-(4-fluoro-2-propan-2-ylphenoxy)oxolane (CID 164786398) is 3-(4-fluoro-2-propan-2-ylphenoxy)oxolane.
What is the SMILES notation for 3-(4-fluoro-2-propan-2-ylphenoxy)oxolane?
The canonical SMILES for 3-(4-fluoro-2-propan-2-ylphenoxy)oxolane is CC(C)c1cc(F)ccc1OC1CCOC1.
What is the InChIKey of 3-(4-fluoro-2-propan-2-ylphenoxy)oxolane?
The InChIKey is HSMYSZNINZWZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO2/c1-9(2)12-7-10(14)3-4-13(12)16-11-5-6-15-8-11/h3-4,7,9,11H,5-6,8H2,1-2H3.
What are the key properties of 3-(4-fluoro-2-propan-2-ylphenoxy)oxolane?
3-(4-fluoro-2-propan-2-ylphenoxy)oxolane has a molecular weight of 224.28 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-propan-2-ylphenoxy)oxolane is sourced from PubChem (CID 164786398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).