3-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-2,2-difluoropropan-1-ol

C14H25F2NO2 — CID 104860601

IUPAC3-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-2,2-difluoropropan-1-ol
SMILESCCOC1CC(NCC(F)(F)CO)C12CCCCC2
InChIInChI=1S/C14H25F2NO2/c1-2-19-12-8-11(17-9-14(15,16)10-18)13(12)6-4-3-5-7-13/h11-12,17-18H,2-10H2,1H3
InChIKeyMHDKEMQTKQAYQX-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.33
Rot. Bonds6

About 3-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-2,2-difluoropropan-1-ol

3-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-2,2-difluoropropan-1-ol (PubChem CID 104860601) has the molecular formula C14H25F2NO2 and a molecular weight of 277.35 g/mol. Its IUPAC name is 3-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-2,2-difluoropropan-1-ol
PubChem CID104860601
Molecular FormulaC14H25F2NO2
Molecular Weight277.35 g/mol
Exact Mass277.19
IUPAC Name3-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-2,2-difluoropropan-1-ol
SMILESCCOC1CC(NCC(F)(F)CO)C12CCCCC2
InChIInChI=1S/C14H25F2NO2/c1-2-19-12-8-11(17-9-14(15,16)10-18)13(12)6-4-3-5-7-13/h11-12,17-18H,2-10H2,1H3
InChIKeyMHDKEMQTKQAYQX-UHFFFAOYSA-N
XLogP2.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-2,2-difluoropropan-1-ol (CID 104860601) is 3-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-2,2-difluoropropan-1-ol is CCOC1CC(NCC(F)(F)CO)C12CCCCC2.
What is the InChIKey of 3-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-2,2-difluoropropan-1-ol?
The InChIKey is MHDKEMQTKQAYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2NO2/c1-2-19-12-8-11(17-9-14(15,16)10-18)13(12)6-4-3-5-7-13/h11-12,17-18H,2-10H2,1H3.
What are the key properties of 3-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-2,2-difluoropropan-1-ol?
3-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-2,2-difluoropropan-1-ol has a molecular weight of 277.35 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 104860601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).