benzyl 2-[(5-fluoro-2-pyridinyl)oxy]-2-methylpropanoate

C16H16FNO3 — CID 57438725

IUPACbenzyl 2-[(5-fluoro-2-pyridinyl)oxy]-2-methylpropanoate
SMILESCC(C)(Oc1ccc(F)cn1)C(=O)OCc1ccccc1
InChIInChI=1S/C16H16FNO3/c1-16(2,21-14-9-8-13(17)10-18-14)15(19)20-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3
InChIKeyMROISPIGMUDXBW-UHFFFAOYSA-N
MW289.31 g/mol
LogP3.12
Rot. Bonds5

About benzyl 2-[(5-fluoro-2-pyridinyl)oxy]-2-methylpropanoate

benzyl 2-[(5-fluoro-2-pyridinyl)oxy]-2-methylpropanoate (PubChem CID 57438725) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is benzyl 2-[(5-fluoro-2-pyridinyl)oxy]-2-methylpropanoate.

Molecular Properties

Compound Namebenzyl 2-[(5-fluoro-2-pyridinyl)oxy]-2-methylpropanoate
PubChem CID57438725
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Namebenzyl 2-[(5-fluoro-2-pyridinyl)oxy]-2-methylpropanoate
SMILESCC(C)(Oc1ccc(F)cn1)C(=O)OCc1ccccc1
InChIInChI=1S/C16H16FNO3/c1-16(2,21-14-9-8-13(17)10-18-14)15(19)20-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3
InChIKeyMROISPIGMUDXBW-UHFFFAOYSA-N
XLogP3.12
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(5-fluoro-2-pyridinyl)oxy]-2-methylpropanoate?
The IUPAC name of benzyl 2-[(5-fluoro-2-pyridinyl)oxy]-2-methylpropanoate (CID 57438725) is benzyl 2-[(5-fluoro-2-pyridinyl)oxy]-2-methylpropanoate.
What is the SMILES notation for benzyl 2-[(5-fluoro-2-pyridinyl)oxy]-2-methylpropanoate?
The canonical SMILES for benzyl 2-[(5-fluoro-2-pyridinyl)oxy]-2-methylpropanoate is CC(C)(Oc1ccc(F)cn1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[(5-fluoro-2-pyridinyl)oxy]-2-methylpropanoate?
The InChIKey is MROISPIGMUDXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-16(2,21-14-9-8-13(17)10-18-14)15(19)20-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3.
What are the key properties of benzyl 2-[(5-fluoro-2-pyridinyl)oxy]-2-methylpropanoate?
benzyl 2-[(5-fluoro-2-pyridinyl)oxy]-2-methylpropanoate has a molecular weight of 289.31 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(5-fluoro-2-pyridinyl)oxy]-2-methylpropanoate is sourced from PubChem (CID 57438725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).