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

C10H18FNO2 — CID 130478131

IUPACN-(2-fluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESFCCNC1CCC2(CC1)OCCO2
InChIInChI=1S/C10H18FNO2/c11-5-6-12-9-1-3-10(4-2-9)13-7-8-14-10/h9,12H,1-8H2
InChIKeyGJUVUDQBEDIFKD-UHFFFAOYSA-N
MW203.26 g/mol
LogP1.23
Rot. Bonds3

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

N-(2-fluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 130478131) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is N-(2-fluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID130478131
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC NameN-(2-fluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESFCCNC1CCC2(CC1)OCCO2
InChIInChI=1S/C10H18FNO2/c11-5-6-12-9-1-3-10(4-2-9)13-7-8-14-10/h9,12H,1-8H2
InChIKeyGJUVUDQBEDIFKD-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-Dioxaspiro[4.5]decan-8-amine
CID 14634315
N-methyl-1,4-dioxaspiro(4.5)decan-8-amine
CID 16786570
1,4-Dioxaspiro(4.5)decan-8-amine hydrochloride
CID 86810494
N-cyclohexyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 28424027
(3R)-3-(1,4-dioxaspiro[4.5]decan-8-ylamino)butan-1-ol
CID 86793868
7-Fluoro-1,4-dioxa-spiro[4.5]dec-8-ylamine
CID 131193413
(7R,8R)-7-fluoro-1,4-dioxaspiro[4.5]decan-8-amine
CID 156194651
(7S,8R)-7-Fluoro-1,4-dioxaspiro[4.5]decan-8-amine
CID 156204063
3-Fluoro-1,4-dioxaspiro[4.5]decan-8-amine
CID 169324508
N-(2,2,2-trifluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 24710506
N-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 63226092
N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 63827310

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-(2-fluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine (CID 130478131) is N-(2-fluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-(2-fluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-(2-fluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine is FCCNC1CCC2(CC1)OCCO2.
What is the InChIKey of N-(2-fluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is GJUVUDQBEDIFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO2/c11-5-6-12-9-1-3-10(4-2-9)13-7-8-14-10/h9,12H,1-8H2.
What are the key properties of N-(2-fluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine?
N-(2-fluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 203.26 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 130478131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).