ethyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoroacetate

C12H19FO4 — CID 163240158

IUPACethyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoroacetate
SMILESCCOC(=O)C(F)C1CCC2(CC1)OCCO2
InChIInChI=1S/C12H19FO4/c1-2-15-11(14)10(13)9-3-5-12(6-4-9)16-7-8-17-12/h9-10H,2-8H2,1H3
InChIKeyYTIZMKPVVBKURQ-UHFFFAOYSA-N
MW246.28 g/mol
LogP1.82
Rot. Bonds3

About ethyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoroacetate

ethyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoroacetate (PubChem CID 163240158) has the molecular formula C12H19FO4 and a molecular weight of 246.28 g/mol. Its IUPAC name is ethyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoroacetate.

Molecular Properties

Compound Nameethyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoroacetate
PubChem CID163240158
Molecular FormulaC12H19FO4
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC Nameethyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoroacetate
SMILESCCOC(=O)C(F)C1CCC2(CC1)OCCO2
InChIInChI=1S/C12H19FO4/c1-2-15-11(14)10(13)9-3-5-12(6-4-9)16-7-8-17-12/h9-10H,2-8H2,1H3
InChIKeyYTIZMKPVVBKURQ-UHFFFAOYSA-N
XLogP1.82
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoroacetate?
The IUPAC name of ethyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoroacetate (CID 163240158) is ethyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoroacetate.
What is the SMILES notation for ethyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoroacetate?
The canonical SMILES for ethyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoroacetate is CCOC(=O)C(F)C1CCC2(CC1)OCCO2.
What is the InChIKey of ethyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoroacetate?
The InChIKey is YTIZMKPVVBKURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FO4/c1-2-15-11(14)10(13)9-3-5-12(6-4-9)16-7-8-17-12/h9-10H,2-8H2,1H3.
What are the key properties of ethyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoroacetate?
ethyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoroacetate has a molecular weight of 246.28 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoroacetate is sourced from PubChem (CID 163240158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).