3-(2,2-difluoroethoxy)-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine

C14H25F2NO2 — CID 103148828

IUPAC3-(2,2-difluoroethoxy)-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
SMILESNC(CCOCC(F)F)C1CCOC2(CCCC2)C1
InChIInChI=1S/C14H25F2NO2/c15-13(16)10-18-7-4-12(17)11-3-8-19-14(9-11)5-1-2-6-14/h11-13H,1-10,17H2
InChIKeyZZIOGLOTRFCYTR-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.72
Rot. Bonds6

About 3-(2,2-difluoroethoxy)-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine

3-(2,2-difluoroethoxy)-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine (PubChem CID 103148828) has the molecular formula C14H25F2NO2 and a molecular weight of 277.35 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
PubChem CID103148828
Molecular FormulaC14H25F2NO2
Molecular Weight277.35 g/mol
Exact Mass277.19
IUPAC Name3-(2,2-difluoroethoxy)-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
SMILESNC(CCOCC(F)F)C1CCOC2(CCCC2)C1
InChIInChI=1S/C14H25F2NO2/c15-13(16)10-18-7-4-12(17)11-3-8-19-14(9-11)5-1-2-6-14/h11-13H,1-10,17H2
InChIKeyZZIOGLOTRFCYTR-UHFFFAOYSA-N
XLogP2.72
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 79915039
1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
CID 79914693
1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475216
[3-(2,2-difluoroethoxy)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propyl]hydrazine
CID 103151883
3-(2,2-difluoroethoxy)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylpropan-1-amine
CID 103149235
N',N'-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)propane-1,3-diamine
CID 113291213
1-(6-oxaspiro[4.5]decan-9-yl)octan-1-amine
CID 105016795
4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine
CID 114211655
2-amino-2-(5-oxaspiro[3.5]nonan-8-yl)ethanol
CID 79922665
4-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
CID 105166209
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(2-methoxyethoxy)propan-1-amine
CID 102927776
3-(2,2-difluoroethoxy)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylpropan-1-amine
CID 103149172

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine (CID 103148828) is 3-(2,2-difluoroethoxy)-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine is NC(CCOCC(F)F)C1CCOC2(CCCC2)C1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine?
The InChIKey is ZZIOGLOTRFCYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2NO2/c15-13(16)10-18-7-4-12(17)11-3-8-19-14(9-11)5-1-2-6-14/h11-13H,1-10,17H2.
What are the key properties of 3-(2,2-difluoroethoxy)-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine?
3-(2,2-difluoroethoxy)-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine has a molecular weight of 277.35 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine is sourced from PubChem (CID 103148828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).