[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-fluoropropanoate

C16H23FO4 — CID 58225797

IUPAC[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-fluoropropanoate
SMILESCC(F)C(=O)OCC(=O)OC1(C)C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H23FO4/c1-9(17)15(19)20-8-14(18)21-16(2)12-4-10-3-11(6-12)7-13(16)5-10/h9-13H,3-8H2,1-2H3
InChIKeyBWXRUVSAKCNGGN-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.65
Rot. Bonds4

About [2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-fluoropropanoate

[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-fluoropropanoate (PubChem CID 58225797) has the molecular formula C16H23FO4 and a molecular weight of 298.35 g/mol. Its IUPAC name is [2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-fluoropropanoate.

Molecular Properties

Compound Name[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-fluoropropanoate
PubChem CID58225797
Molecular FormulaC16H23FO4
Molecular Weight298.35 g/mol
Exact Mass298.16
IUPAC Name[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-fluoropropanoate
SMILESCC(F)C(=O)OCC(=O)OC1(C)C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H23FO4/c1-9(17)15(19)20-8-14(18)21-16(2)12-4-10-3-11(6-12)7-13(16)5-10/h9-13H,3-8H2,1-2H3
InChIKeyBWXRUVSAKCNGGN-UHFFFAOYSA-N
XLogP2.65
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-fluoropropanoate?
The IUPAC name of [2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-fluoropropanoate (CID 58225797) is [2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-fluoropropanoate.
What is the SMILES notation for [2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-fluoropropanoate?
The canonical SMILES for [2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-fluoropropanoate is CC(F)C(=O)OCC(=O)OC1(C)C2CC3CC(C2)CC1C3.
What is the InChIKey of [2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-fluoropropanoate?
The InChIKey is BWXRUVSAKCNGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FO4/c1-9(17)15(19)20-8-14(18)21-16(2)12-4-10-3-11(6-12)7-13(16)5-10/h9-13H,3-8H2,1-2H3.
What are the key properties of [2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-fluoropropanoate?
[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-fluoropropanoate has a molecular weight of 298.35 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-fluoropropanoate is sourced from PubChem (CID 58225797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).