5-[(3-fluorophenoxy)methyl]-2,2-dimethyloxolane

C13H17FO2 — CID 116524396

IUPAC5-[(3-fluorophenoxy)methyl]-2,2-dimethyloxolane
SMILESCC1(C)CCC(COc2cccc(F)c2)O1
InChIInChI=1S/C13H17FO2/c1-13(2)7-6-12(16-13)9-15-11-5-3-4-10(14)8-11/h3-5,8,12H,6-7,9H2,1-2H3
InChIKeyBKYRXCNFDCFKGK-UHFFFAOYSA-N
MW224.28 g/mol
LogP3.16
Rot. Bonds3

About 5-[(3-fluorophenoxy)methyl]-2,2-dimethyloxolane

5-[(3-fluorophenoxy)methyl]-2,2-dimethyloxolane (PubChem CID 116524396) has the molecular formula C13H17FO2 and a molecular weight of 224.28 g/mol. Its IUPAC name is 5-[(3-fluorophenoxy)methyl]-2,2-dimethyloxolane.

Molecular Properties

Compound Name5-[(3-fluorophenoxy)methyl]-2,2-dimethyloxolane
PubChem CID116524396
Molecular FormulaC13H17FO2
Molecular Weight224.28 g/mol
Exact Mass224.12
IUPAC Name5-[(3-fluorophenoxy)methyl]-2,2-dimethyloxolane
SMILESCC1(C)CCC(COc2cccc(F)c2)O1
InChIInChI=1S/C13H17FO2/c1-13(2)7-6-12(16-13)9-15-11-5-3-4-10(14)8-11/h3-5,8,12H,6-7,9H2,1-2H3
InChIKeyBKYRXCNFDCFKGK-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-2,2-dimethyl-5-(phenoxymethyl)oxolane
CID 141293396
3-[(5,5-dimethyloxolan-2-yl)methoxy]benzaldehyde
CID 116521944
[3-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]methanamine
CID 116520913
[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]-trifluoroboranuide
CID 116522457
4-[(5,5-dimethyloxolan-2-yl)methoxy]-2-fluorobenzenecarbothioamide
CID 116521867
1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-2-fluorophenyl]-N-methylethanamine
CID 107716568
4-[3-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]but-3-yn-1-ol
CID 116523040
5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-2,2-dimethyloxolane
CID 102714672
2,2-dimethyl-5-(naphthalen-1-yloxymethyl)oxolane
CID 116524402
1-(5,5-dimethyloxolan-2-yl)-N-[(3-fluorophenyl)methyl]methanamine
CID 116521177
[3-[(5,5-dimethyloxolan-2-yl)methoxy]-4-fluorophenyl]boronic acid
CID 114674517
(1R)-1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 104889478

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenoxy)methyl]-2,2-dimethyloxolane?
The IUPAC name of 5-[(3-fluorophenoxy)methyl]-2,2-dimethyloxolane (CID 116524396) is 5-[(3-fluorophenoxy)methyl]-2,2-dimethyloxolane.
What is the SMILES notation for 5-[(3-fluorophenoxy)methyl]-2,2-dimethyloxolane?
The canonical SMILES for 5-[(3-fluorophenoxy)methyl]-2,2-dimethyloxolane is CC1(C)CCC(COc2cccc(F)c2)O1.
What is the InChIKey of 5-[(3-fluorophenoxy)methyl]-2,2-dimethyloxolane?
The InChIKey is BKYRXCNFDCFKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO2/c1-13(2)7-6-12(16-13)9-15-11-5-3-4-10(14)8-11/h3-5,8,12H,6-7,9H2,1-2H3.
What are the key properties of 5-[(3-fluorophenoxy)methyl]-2,2-dimethyloxolane?
5-[(3-fluorophenoxy)methyl]-2,2-dimethyloxolane has a molecular weight of 224.28 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenoxy)methyl]-2,2-dimethyloxolane is sourced from PubChem (CID 116524396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).