7-ethyl-8-(fluoromethyl)-8-methyl-1,4-dioxaspiro[4.5]decane

C12H21FO2 — CID 176672018

IUPAC7-ethyl-8-(fluoromethyl)-8-methyl-1,4-dioxaspiro[4.5]decane
SMILESCCC1CC2(CCC1(C)CF)OCCO2
InChIInChI=1S/C12H21FO2/c1-3-10-8-12(14-6-7-15-12)5-4-11(10,2)9-13/h10H,3-9H2,1-2H3
InChIKeyUQAATENQPMOAKO-UHFFFAOYSA-N
MW216.30 g/mol
LogP2.92
Rot. Bonds2

About 7-ethyl-8-(fluoromethyl)-8-methyl-1,4-dioxaspiro[4.5]decane

7-ethyl-8-(fluoromethyl)-8-methyl-1,4-dioxaspiro[4.5]decane (PubChem CID 176672018) has the molecular formula C12H21FO2 and a molecular weight of 216.30 g/mol. Its IUPAC name is 7-ethyl-8-(fluoromethyl)-8-methyl-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name7-ethyl-8-(fluoromethyl)-8-methyl-1,4-dioxaspiro[4.5]decane
PubChem CID176672018
Molecular FormulaC12H21FO2
Molecular Weight216.30 g/mol
Exact Mass216.15
IUPAC Name7-ethyl-8-(fluoromethyl)-8-methyl-1,4-dioxaspiro[4.5]decane
SMILESCCC1CC2(CCC1(C)CF)OCCO2
InChIInChI=1S/C12H21FO2/c1-3-10-8-12(14-6-7-15-12)5-4-11(10,2)9-13/h10H,3-9H2,1-2H3
InChIKeyUQAATENQPMOAKO-UHFFFAOYSA-N
XLogP2.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-8-(fluoromethyl)-8-methyl-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 7-ethyl-8-(fluoromethyl)-8-methyl-1,4-dioxaspiro[4.5]decane (CID 176672018) is 7-ethyl-8-(fluoromethyl)-8-methyl-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 7-ethyl-8-(fluoromethyl)-8-methyl-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 7-ethyl-8-(fluoromethyl)-8-methyl-1,4-dioxaspiro[4.5]decane is CCC1CC2(CCC1(C)CF)OCCO2.
What is the InChIKey of 7-ethyl-8-(fluoromethyl)-8-methyl-1,4-dioxaspiro[4.5]decane?
The InChIKey is UQAATENQPMOAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FO2/c1-3-10-8-12(14-6-7-15-12)5-4-11(10,2)9-13/h10H,3-9H2,1-2H3.
What are the key properties of 7-ethyl-8-(fluoromethyl)-8-methyl-1,4-dioxaspiro[4.5]decane?
7-ethyl-8-(fluoromethyl)-8-methyl-1,4-dioxaspiro[4.5]decane has a molecular weight of 216.30 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-8-(fluoromethyl)-8-methyl-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 176672018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).