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

C16H29F2NO2 — CID 103149500

IUPAC3-(2,2-difluoroethoxy)-N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
SMILESCCNC(CCOCC(F)F)C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H29F2NO2/c1-2-19-14(6-9-20-12-15(17)18)13-5-10-21-16(11-13)7-3-4-8-16/h13-15,19H,2-12H2,1H3
InChIKeyAOSXYRCUNBYSGS-UHFFFAOYSA-N
MW305.41 g/mol
LogP3.38
Rot. Bonds8

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

3-(2,2-difluoroethoxy)-N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine (PubChem CID 103149500) has the molecular formula C16H29F2NO2 and a molecular weight of 305.41 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
PubChem CID103149500
Molecular FormulaC16H29F2NO2
Molecular Weight305.41 g/mol
Exact Mass305.22
IUPAC Name3-(2,2-difluoroethoxy)-N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
SMILESCCNC(CCOCC(F)F)C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H29F2NO2/c1-2-19-14(6-9-20-12-15(17)18)13-5-10-21-16(11-13)7-3-4-8-16/h13-15,19H,2-12H2,1H3
InChIKeyAOSXYRCUNBYSGS-UHFFFAOYSA-N
XLogP3.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 53.38
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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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine (CID 103149500) is 3-(2,2-difluoroethoxy)-N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine is CCNC(CCOCC(F)F)C1CCOC2(CCCC2)C1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine?
The InChIKey is AOSXYRCUNBYSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29F2NO2/c1-2-19-14(6-9-20-12-15(17)18)13-5-10-21-16(11-13)7-3-4-8-16/h13-15,19H,2-12H2,1H3.
What are the key properties of 3-(2,2-difluoroethoxy)-N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine?
3-(2,2-difluoroethoxy)-N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine has a molecular weight of 305.41 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine is sourced from PubChem (CID 103149500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).