3-(2,2-difluoroethoxy)-N-ethylspiro[3.5]nonan-1-amine

C13H23F2NO — CID 82009455

IUPAC3-(2,2-difluoroethoxy)-N-ethylspiro[3.5]nonan-1-amine
SMILESCCNC1CC(OCC(F)F)C12CCCCC2
InChIInChI=1S/C13H23F2NO/c1-2-16-10-8-11(17-9-12(14)15)13(10)6-4-3-5-7-13/h10-12,16H,2-9H2,1H3
InChIKeyBEUFWJKOXBHXSN-UHFFFAOYSA-N
MW247.33 g/mol
LogP2.97
Rot. Bonds5

About 3-(2,2-difluoroethoxy)-N-ethylspiro[3.5]nonan-1-amine

3-(2,2-difluoroethoxy)-N-ethylspiro[3.5]nonan-1-amine (PubChem CID 82009455) has the molecular formula C13H23F2NO and a molecular weight of 247.33 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-ethylspiro[3.5]nonan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-ethylspiro[3.5]nonan-1-amine
PubChem CID82009455
Molecular FormulaC13H23F2NO
Molecular Weight247.33 g/mol
Exact Mass247.17
IUPAC Name3-(2,2-difluoroethoxy)-N-ethylspiro[3.5]nonan-1-amine
SMILESCCNC1CC(OCC(F)F)C12CCCCC2
InChIInChI=1S/C13H23F2NO/c1-2-16-10-8-11(17-9-12(14)15)13(10)6-4-3-5-7-13/h10-12,16H,2-9H2,1H3
InChIKeyBEUFWJKOXBHXSN-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 55106643
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CID 62724375
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CID 62724582
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CID 62724587
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CID 62725780
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CID 62725975
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CID 62726405
CID 62726405

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-ethylspiro[3.5]nonan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-ethylspiro[3.5]nonan-1-amine (CID 82009455) is 3-(2,2-difluoroethoxy)-N-ethylspiro[3.5]nonan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-ethylspiro[3.5]nonan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-ethylspiro[3.5]nonan-1-amine is CCNC1CC(OCC(F)F)C12CCCCC2.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-ethylspiro[3.5]nonan-1-amine?
The InChIKey is BEUFWJKOXBHXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO/c1-2-16-10-8-11(17-9-12(14)15)13(10)6-4-3-5-7-13/h10-12,16H,2-9H2,1H3.
What are the key properties of 3-(2,2-difluoroethoxy)-N-ethylspiro[3.5]nonan-1-amine?
3-(2,2-difluoroethoxy)-N-ethylspiro[3.5]nonan-1-amine has a molecular weight of 247.33 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-ethylspiro[3.5]nonan-1-amine is sourced from PubChem (CID 82009455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).