N-(2-fluoroethyl)-2,6-dioxaspiro[4.5]decan-9-amine

C10H18FNO2 — CID 130503964

IUPACN-(2-fluoroethyl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESFCCNC1CCOC2(CCOC2)C1
InChIInChI=1S/C10H18FNO2/c11-3-4-12-9-1-5-14-10(7-9)2-6-13-8-10/h9,12H,1-8H2
InChIKeyLAXOFHAHYOETFP-UHFFFAOYSA-N
MW203.26 g/mol
LogP0.88
Rot. Bonds3

About N-(2-fluoroethyl)-2,6-dioxaspiro[4.5]decan-9-amine

N-(2-fluoroethyl)-2,6-dioxaspiro[4.5]decan-9-amine (PubChem CID 130503964) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is N-(2-fluoroethyl)-2,6-dioxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-2,6-dioxaspiro[4.5]decan-9-amine
PubChem CID130503964
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC NameN-(2-fluoroethyl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESFCCNC1CCOC2(CCOC2)C1
InChIInChI=1S/C10H18FNO2/c11-3-4-12-9-1-5-14-10(7-9)2-6-13-8-10/h9,12H,1-8H2
InChIKeyLAXOFHAHYOETFP-UHFFFAOYSA-N
XLogP0.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The IUPAC name of N-(2-fluoroethyl)-2,6-dioxaspiro[4.5]decan-9-amine (CID 130503964) is N-(2-fluoroethyl)-2,6-dioxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(2-fluoroethyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(2-fluoroethyl)-2,6-dioxaspiro[4.5]decan-9-amine is FCCNC1CCOC2(CCOC2)C1.
What is the InChIKey of N-(2-fluoroethyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The InChIKey is LAXOFHAHYOETFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO2/c11-3-4-12-9-1-5-14-10(7-9)2-6-13-8-10/h9,12H,1-8H2.
What are the key properties of N-(2-fluoroethyl)-2,6-dioxaspiro[4.5]decan-9-amine?
N-(2-fluoroethyl)-2,6-dioxaspiro[4.5]decan-9-amine has a molecular weight of 203.26 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-2,6-dioxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 130503964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).