N-(3-fluoropropyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine

C12H22FNO2 — CID 81106097

IUPACN-(3-fluoropropyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCN(CCCF)C1CCC2(CC1)OCCO2
InChIInChI=1S/C12H22FNO2/c1-14(8-2-7-13)11-3-5-12(6-4-11)15-9-10-16-12/h11H,2-10H2,1H3
InChIKeyFKNKAXRAXMGDKF-UHFFFAOYSA-N
MW231.31 g/mol
LogP1.96
Rot. Bonds4

About N-(3-fluoropropyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine

N-(3-fluoropropyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 81106097) has the molecular formula C12H22FNO2 and a molecular weight of 231.31 g/mol. Its IUPAC name is N-(3-fluoropropyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-(3-fluoropropyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID81106097
Molecular FormulaC12H22FNO2
Molecular Weight231.31 g/mol
Exact Mass231.16
IUPAC NameN-(3-fluoropropyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCN(CCCF)C1CCC2(CC1)OCCO2
InChIInChI=1S/C12H22FNO2/c1-14(8-2-7-13)11-3-5-12(6-4-11)15-9-10-16-12/h11H,2-10H2,1H3
InChIKeyFKNKAXRAXMGDKF-UHFFFAOYSA-N
XLogP1.96
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.31
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropropyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-(3-fluoropropyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine (CID 81106097) is N-(3-fluoropropyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-(3-fluoropropyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-(3-fluoropropyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine is CN(CCCF)C1CCC2(CC1)OCCO2.
What is the InChIKey of N-(3-fluoropropyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is FKNKAXRAXMGDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO2/c1-14(8-2-7-13)11-3-5-12(6-4-11)15-9-10-16-12/h11H,2-10H2,1H3.
What are the key properties of N-(3-fluoropropyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
N-(3-fluoropropyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 231.31 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 81106097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).