4-(2,6-dioxaspiro[4.5]decan-9-yl)-4-fluoro-5-methoxypentan-1-amine

C14H26FNO3 — CID 103392434

IUPAC4-(2,6-dioxaspiro[4.5]decan-9-yl)-4-fluoro-5-methoxypentan-1-amine
SMILESCOCC(F)(CCCN)C1CCOC2(CCOC2)C1
InChIInChI=1S/C14H26FNO3/c1-17-11-14(15,4-2-6-16)12-3-7-19-13(9-12)5-8-18-10-13/h12H,2-11,16H2,1H3
InChIKeyBGWGFEQFDKLHQD-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.67
Rot. Bonds6

About 4-(2,6-dioxaspiro[4.5]decan-9-yl)-4-fluoro-5-methoxypentan-1-amine

4-(2,6-dioxaspiro[4.5]decan-9-yl)-4-fluoro-5-methoxypentan-1-amine (PubChem CID 103392434) has the molecular formula C14H26FNO3 and a molecular weight of 275.36 g/mol. Its IUPAC name is 4-(2,6-dioxaspiro[4.5]decan-9-yl)-4-fluoro-5-methoxypentan-1-amine.

Molecular Properties

Compound Name4-(2,6-dioxaspiro[4.5]decan-9-yl)-4-fluoro-5-methoxypentan-1-amine
PubChem CID103392434
Molecular FormulaC14H26FNO3
Molecular Weight275.36 g/mol
Exact Mass275.19
IUPAC Name4-(2,6-dioxaspiro[4.5]decan-9-yl)-4-fluoro-5-methoxypentan-1-amine
SMILESCOCC(F)(CCCN)C1CCOC2(CCOC2)C1
InChIInChI=1S/C14H26FNO3/c1-17-11-14(15,4-2-6-16)12-3-7-19-13(9-12)5-8-18-10-13/h12H,2-11,16H2,1H3
InChIKeyBGWGFEQFDKLHQD-UHFFFAOYSA-N
XLogP1.67
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,9-Dioxaspiro[5.5]undecan-4-yl)-4-fluoro-5-methoxypentan-1-amine
CID 103392491
4-Fluoro-5-methoxy-4-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine
CID 103392600
4-Fluoro-5-methoxy-4-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-amine
CID 103392629
4-Fluoro-5-methoxy-4-(6-oxaspiro[4.5]decan-9-yl)pentan-1-amine
CID 103392686
4-Fluoro-5-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-1-amine
CID 103392700
3-(2,6-Dioxaspiro[4.5]decan-9-yl)-3-fluoropropan-1-amine
CID 104277145
2-[2,6-Dioxaspiro[4.5]decan-9-yl(fluoro)methyl]-3-methylbutan-1-amine
CID 107443542
2-(2,6-Dioxaspiro[4.5]decan-9-yl)-2-fluoroethanamine
CID 112562656
3-(2,6-Dioxaspiro[4.5]decan-9-yl)-3-fluorocyclobutan-1-amine
CID 112564030
2-(2,6-Dioxaspiro[4.5]decan-9-yl)-2-fluoropropan-1-amine
CID 112565121
2-(2,6-Dioxaspiro[4.5]decan-9-yl)-2-fluorobutan-1-amine
CID 112566001
2-(2,6-Dioxaspiro[4.5]decan-9-yl)-2-fluoro-3,3-dimethylbutan-1-amine
CID 112566530

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dioxaspiro[4.5]decan-9-yl)-4-fluoro-5-methoxypentan-1-amine?
The IUPAC name of 4-(2,6-dioxaspiro[4.5]decan-9-yl)-4-fluoro-5-methoxypentan-1-amine (CID 103392434) is 4-(2,6-dioxaspiro[4.5]decan-9-yl)-4-fluoro-5-methoxypentan-1-amine.
What is the SMILES notation for 4-(2,6-dioxaspiro[4.5]decan-9-yl)-4-fluoro-5-methoxypentan-1-amine?
The canonical SMILES for 4-(2,6-dioxaspiro[4.5]decan-9-yl)-4-fluoro-5-methoxypentan-1-amine is COCC(F)(CCCN)C1CCOC2(CCOC2)C1.
What is the InChIKey of 4-(2,6-dioxaspiro[4.5]decan-9-yl)-4-fluoro-5-methoxypentan-1-amine?
The InChIKey is BGWGFEQFDKLHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26FNO3/c1-17-11-14(15,4-2-6-16)12-3-7-19-13(9-12)5-8-18-10-13/h12H,2-11,16H2,1H3.
What are the key properties of 4-(2,6-dioxaspiro[4.5]decan-9-yl)-4-fluoro-5-methoxypentan-1-amine?
4-(2,6-dioxaspiro[4.5]decan-9-yl)-4-fluoro-5-methoxypentan-1-amine has a molecular weight of 275.36 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dioxaspiro[4.5]decan-9-yl)-4-fluoro-5-methoxypentan-1-amine is sourced from PubChem (CID 103392434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).