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

C13H23F2NO3 — CID 103148835

IUPAC3-(2,2-difluoroethoxy)-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-amine
SMILESNC(CCOCC(F)F)C1CCOC2(CCOC2)C1
InChIInChI=1S/C13H23F2NO3/c14-12(15)8-17-4-2-11(16)10-1-5-19-13(7-10)3-6-18-9-13/h10-12H,1-9,16H2
InChIKeyOCRGUAKCTFAVQN-UHFFFAOYSA-N
MW279.33 g/mol
LogP1.57
Rot. Bonds6

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

3-(2,2-difluoroethoxy)-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-amine (PubChem CID 103148835) has the molecular formula C13H23F2NO3 and a molecular weight of 279.33 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-amine
PubChem CID103148835
Molecular FormulaC13H23F2NO3
Molecular Weight279.33 g/mol
Exact Mass279.16
IUPAC Name3-(2,2-difluoroethoxy)-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-amine
SMILESNC(CCOCC(F)F)C1CCOC2(CCOC2)C1
InChIInChI=1S/C13H23F2NO3/c14-12(15)8-17-4-2-11(16)10-1-5-19-13(7-10)3-6-18-9-13/h10-12H,1-9,16H2
InChIKeyOCRGUAKCTFAVQN-UHFFFAOYSA-N
XLogP1.57
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-Dioxaspiro[4.5]decan-9-amine
CID 64105379
N-(2,2,2-trifluoroethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79897804
N-(3,3,3-trifluoropropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79904036
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 79914459
1-(2,6-Dioxaspiro[4.5]decan-9-yl)-3,3,3-trifluoropropan-1-amine
CID 79914929
3,3,3-Trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
CID 79915034
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 79915155
1-(1,9-Dioxaspiro[5.5]undecan-4-yl)-3,3,3-trifluoropropan-1-amine
CID 79915271
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 79915391
1-(2,6-Dioxaspiro[4.5]decan-9-yl)-4,4,4-trifluorobutan-1-amine
CID 79953297
4,4,4-Trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
CID 79953439
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 79953929

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-amine (CID 103148835) is 3-(2,2-difluoroethoxy)-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-amine is NC(CCOCC(F)F)C1CCOC2(CCOC2)C1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-amine?
The InChIKey is OCRGUAKCTFAVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO3/c14-12(15)8-17-4-2-11(16)10-1-5-19-13(7-10)3-6-18-9-13/h10-12H,1-9,16H2.
What are the key properties of 3-(2,2-difluoroethoxy)-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-amine?
3-(2,2-difluoroethoxy)-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-amine has a molecular weight of 279.33 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-amine is sourced from PubChem (CID 103148835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).