(2-oxo-2-spiro[1,3-dioxolane-2,4'-adamantane]-1'-yloxyethyl) 2-fluoro-2-methylpropanoate

C18H25FO6 — CID 58108132

IUPAC(2-oxo-2-spiro[1,3-dioxolane-2,4'-adamantane]-1'-yloxyethyl) 2-fluoro-2-methylpropanoate
SMILESCC(C)(F)C(=O)OCC(=O)OC12CC3CC(C1)C1(OCCO1)C(C3)C2
InChIInChI=1S/C18H25FO6/c1-16(2,19)15(21)22-10-14(20)25-17-7-11-5-12(8-17)18(13(6-11)9-17)23-3-4-24-18/h11-13H,3-10H2,1-2H3
InChIKeyDUJGGCUJFJTIKG-UHFFFAOYSA-N
MW356.39 g/mol
LogP2.14
Rot. Bonds4

About (2-oxo-2-spiro[1,3-dioxolane-2,4'-adamantane]-1'-yloxyethyl) 2-fluoro-2-methylpropanoate

(2-oxo-2-spiro[1,3-dioxolane-2,4'-adamantane]-1'-yloxyethyl) 2-fluoro-2-methylpropanoate (PubChem CID 58108132) has the molecular formula C18H25FO6 and a molecular weight of 356.39 g/mol. Its IUPAC name is (2-oxo-2-spiro[1,3-dioxolane-2,4'-adamantane]-1'-yloxyethyl) 2-fluoro-2-methylpropanoate.

Molecular Properties

Compound Name(2-oxo-2-spiro[1,3-dioxolane-2,4'-adamantane]-1'-yloxyethyl) 2-fluoro-2-methylpropanoate
PubChem CID58108132
Molecular FormulaC18H25FO6
Molecular Weight356.39 g/mol
Exact Mass356.16
IUPAC Name(2-oxo-2-spiro[1,3-dioxolane-2,4'-adamantane]-1'-yloxyethyl) 2-fluoro-2-methylpropanoate
SMILESCC(C)(F)C(=O)OCC(=O)OC12CC3CC(C1)C1(OCCO1)C(C3)C2
InChIInChI=1S/C18H25FO6/c1-16(2,19)15(21)22-10-14(20)25-17-7-11-5-12(8-17)18(13(6-11)9-17)23-3-4-24-18/h11-13H,3-10H2,1-2H3
InChIKeyDUJGGCUJFJTIKG-UHFFFAOYSA-N
XLogP2.14
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-spiro[1,3-dioxolane-2,4'-adamantane]-1'-yloxyethyl) 2-fluoro-2-methylpropanoate?
The IUPAC name of (2-oxo-2-spiro[1,3-dioxolane-2,4'-adamantane]-1'-yloxyethyl) 2-fluoro-2-methylpropanoate (CID 58108132) is (2-oxo-2-spiro[1,3-dioxolane-2,4'-adamantane]-1'-yloxyethyl) 2-fluoro-2-methylpropanoate.
What is the SMILES notation for (2-oxo-2-spiro[1,3-dioxolane-2,4'-adamantane]-1'-yloxyethyl) 2-fluoro-2-methylpropanoate?
The canonical SMILES for (2-oxo-2-spiro[1,3-dioxolane-2,4'-adamantane]-1'-yloxyethyl) 2-fluoro-2-methylpropanoate is CC(C)(F)C(=O)OCC(=O)OC12CC3CC(C1)C1(OCCO1)C(C3)C2.
What is the InChIKey of (2-oxo-2-spiro[1,3-dioxolane-2,4'-adamantane]-1'-yloxyethyl) 2-fluoro-2-methylpropanoate?
The InChIKey is DUJGGCUJFJTIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FO6/c1-16(2,19)15(21)22-10-14(20)25-17-7-11-5-12(8-17)18(13(6-11)9-17)23-3-4-24-18/h11-13H,3-10H2,1-2H3.
What are the key properties of (2-oxo-2-spiro[1,3-dioxolane-2,4'-adamantane]-1'-yloxyethyl) 2-fluoro-2-methylpropanoate?
(2-oxo-2-spiro[1,3-dioxolane-2,4'-adamantane]-1'-yloxyethyl) 2-fluoro-2-methylpropanoate has a molecular weight of 356.39 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-spiro[1,3-dioxolane-2,4'-adamantane]-1'-yloxyethyl) 2-fluoro-2-methylpropanoate is sourced from PubChem (CID 58108132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).