spiro[1,3-dioxolane-2,4'-adamantane]-1'-yl 2-fluoro-2-methylpropanoate

C16H23FO4 — CID 58108122

IUPACspiro[1,3-dioxolane-2,4'-adamantane]-1'-yl 2-fluoro-2-methylpropanoate
SMILESCC(C)(F)C(=O)OC12CC3CC(C1)C1(OCCO1)C(C3)C2
InChIInChI=1S/C16H23FO4/c1-14(2,17)13(18)21-15-7-10-5-11(8-15)16(12(6-10)9-15)19-3-4-20-16/h10-12H,3-9H2,1-2H3
InChIKeyUZHMOJAISCKWIA-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.60
Rot. Bonds2

About spiro[1,3-dioxolane-2,4'-adamantane]-1'-yl 2-fluoro-2-methylpropanoate

spiro[1,3-dioxolane-2,4'-adamantane]-1'-yl 2-fluoro-2-methylpropanoate (PubChem CID 58108122) has the molecular formula C16H23FO4 and a molecular weight of 298.35 g/mol. Its IUPAC name is spiro[1,3-dioxolane-2,4'-adamantane]-1'-yl 2-fluoro-2-methylpropanoate.

Molecular Properties

Compound Namespiro[1,3-dioxolane-2,4'-adamantane]-1'-yl 2-fluoro-2-methylpropanoate
PubChem CID58108122
Molecular FormulaC16H23FO4
Molecular Weight298.35 g/mol
Exact Mass298.16
IUPAC Namespiro[1,3-dioxolane-2,4'-adamantane]-1'-yl 2-fluoro-2-methylpropanoate
SMILESCC(C)(F)C(=O)OC12CC3CC(C1)C1(OCCO1)C(C3)C2
InChIInChI=1S/C16H23FO4/c1-14(2,17)13(18)21-15-7-10-5-11(8-15)16(12(6-10)9-15)19-3-4-20-16/h10-12H,3-9H2,1-2H3
InChIKeyUZHMOJAISCKWIA-UHFFFAOYSA-N
XLogP2.60
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dioxolane-2,4'-adamantane]-1'-yl 2-fluoro-2-methylpropanoate?
The IUPAC name of spiro[1,3-dioxolane-2,4'-adamantane]-1'-yl 2-fluoro-2-methylpropanoate (CID 58108122) is spiro[1,3-dioxolane-2,4'-adamantane]-1'-yl 2-fluoro-2-methylpropanoate.
What is the SMILES notation for spiro[1,3-dioxolane-2,4'-adamantane]-1'-yl 2-fluoro-2-methylpropanoate?
The canonical SMILES for spiro[1,3-dioxolane-2,4'-adamantane]-1'-yl 2-fluoro-2-methylpropanoate is CC(C)(F)C(=O)OC12CC3CC(C1)C1(OCCO1)C(C3)C2.
What is the InChIKey of spiro[1,3-dioxolane-2,4'-adamantane]-1'-yl 2-fluoro-2-methylpropanoate?
The InChIKey is UZHMOJAISCKWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FO4/c1-14(2,17)13(18)21-15-7-10-5-11(8-15)16(12(6-10)9-15)19-3-4-20-16/h10-12H,3-9H2,1-2H3.
What are the key properties of spiro[1,3-dioxolane-2,4'-adamantane]-1'-yl 2-fluoro-2-methylpropanoate?
spiro[1,3-dioxolane-2,4'-adamantane]-1'-yl 2-fluoro-2-methylpropanoate has a molecular weight of 298.35 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-dioxolane-2,4'-adamantane]-1'-yl 2-fluoro-2-methylpropanoate is sourced from PubChem (CID 58108122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).