N-(2-fluoroethyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine

C11H20FNO2 — CID 80694873

IUPACN-(2-fluoroethyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCN(CCF)C1CCC2(CC1)OCCO2
InChIInChI=1S/C11H20FNO2/c1-13(7-6-12)10-2-4-11(5-3-10)14-8-9-15-11/h10H,2-9H2,1H3
InChIKeySMEZTPOZDZBXED-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.57
Rot. Bonds3

About N-(2-fluoroethyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine

N-(2-fluoroethyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 80694873) has the molecular formula C11H20FNO2 and a molecular weight of 217.28 g/mol. Its IUPAC name is N-(2-fluoroethyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID80694873
Molecular FormulaC11H20FNO2
Molecular Weight217.28 g/mol
Exact Mass217.15
IUPAC NameN-(2-fluoroethyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCN(CCF)C1CCC2(CC1)OCCO2
InChIInChI=1S/C11H20FNO2/c1-13(7-6-12)10-2-4-11(5-3-10)14-8-9-15-11/h10H,2-9H2,1H3
InChIKeySMEZTPOZDZBXED-UHFFFAOYSA-N
XLogP1.57
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-(2-fluoroethyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine (CID 80694873) is N-(2-fluoroethyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-(2-fluoroethyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-(2-fluoroethyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine is CN(CCF)C1CCC2(CC1)OCCO2.
What is the InChIKey of N-(2-fluoroethyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is SMEZTPOZDZBXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO2/c1-13(7-6-12)10-2-4-11(5-3-10)14-8-9-15-11/h10H,2-9H2,1H3.
What are the key properties of N-(2-fluoroethyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
N-(2-fluoroethyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 217.28 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 80694873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).