3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2,2-difluoropropan-1-ol

C13H23F2NO2 — CID 104860387

IUPAC3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2,2-difluoropropan-1-ol
SMILESCCOC1CC(NCC(F)(F)CO)C12CCCC2
InChIInChI=1S/C13H23F2NO2/c1-2-18-11-7-10(12(11)5-3-4-6-12)16-8-13(14,15)9-17/h10-11,16-17H,2-9H2,1H3
InChIKeyNBTZPDCGMBPKLI-UHFFFAOYSA-N
MW263.33 g/mol
LogP1.94
Rot. Bonds6

About 3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2,2-difluoropropan-1-ol

3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2,2-difluoropropan-1-ol (PubChem CID 104860387) has the molecular formula C13H23F2NO2 and a molecular weight of 263.33 g/mol. Its IUPAC name is 3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2,2-difluoropropan-1-ol
PubChem CID104860387
Molecular FormulaC13H23F2NO2
Molecular Weight263.33 g/mol
Exact Mass263.17
IUPAC Name3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2,2-difluoropropan-1-ol
SMILESCCOC1CC(NCC(F)(F)CO)C12CCCC2
InChIInChI=1S/C13H23F2NO2/c1-2-18-11-7-10(12(11)5-3-4-6-12)16-8-13(14,15)9-17/h10-11,16-17H,2-9H2,1H3
InChIKeyNBTZPDCGMBPKLI-UHFFFAOYSA-N
XLogP1.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2,2-difluoropropan-1-ol (CID 104860387) is 3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2,2-difluoropropan-1-ol is CCOC1CC(NCC(F)(F)CO)C12CCCC2.
What is the InChIKey of 3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2,2-difluoropropan-1-ol?
The InChIKey is NBTZPDCGMBPKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO2/c1-2-18-11-7-10(12(11)5-3-4-6-12)16-8-13(14,15)9-17/h10-11,16-17H,2-9H2,1H3.
What are the key properties of 3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2,2-difluoropropan-1-ol?
3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2,2-difluoropropan-1-ol has a molecular weight of 263.33 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 104860387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).