2,2-difluoro-3-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propan-1-ol

C12H21F2NO2 — CID 106176880

IUPAC2,2-difluoro-3-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propan-1-ol
SMILESOCC(F)(F)CNCC1CCC2(CCCC2)O1
InChIInChI=1S/C12H21F2NO2/c13-12(14,9-16)8-15-7-10-3-6-11(17-10)4-1-2-5-11/h10,15-16H,1-9H2
InChIKeyJDVNVJPOFZVXSR-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.70
Rot. Bonds5

About 2,2-difluoro-3-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propan-1-ol

2,2-difluoro-3-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propan-1-ol (PubChem CID 106176880) has the molecular formula C12H21F2NO2 and a molecular weight of 249.30 g/mol. Its IUPAC name is 2,2-difluoro-3-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propan-1-ol
PubChem CID106176880
Molecular FormulaC12H21F2NO2
Molecular Weight249.30 g/mol
Exact Mass249.15
IUPAC Name2,2-difluoro-3-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propan-1-ol
SMILESOCC(F)(F)CNCC1CCC2(CCCC2)O1
InChIInChI=1S/C12H21F2NO2/c13-12(14,9-16)8-15-7-10-3-6-11(17-10)4-1-2-5-11/h10,15-16H,1-9H2
InChIKeyJDVNVJPOFZVXSR-UHFFFAOYSA-N
XLogP1.70
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2,2,2-Trifluoroethoxy)ethylamino]methyl]cyclopentan-1-ol
CID 65838852
2,2,2-trifluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102896747
2,2,2-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102896748
3,3,3-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
CID 102897265
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 102897298
N-(1-oxaspiro[4.5]decan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 102897299
2,2-difluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102897655
2,2-difluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102897656
4,4,4-trifluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine
CID 102897658
4,4,4-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 102897659
5,5,5-trifluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-1-amine
CID 102897660
5,5,5-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine
CID 102897661

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propan-1-ol?
The IUPAC name of 2,2-difluoro-3-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propan-1-ol (CID 106176880) is 2,2-difluoro-3-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propan-1-ol is OCC(F)(F)CNCC1CCC2(CCCC2)O1.
What is the InChIKey of 2,2-difluoro-3-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propan-1-ol?
The InChIKey is JDVNVJPOFZVXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO2/c13-12(14,9-16)8-15-7-10-3-6-11(17-10)4-1-2-5-11/h10,15-16H,1-9H2.
What are the key properties of 2,2-difluoro-3-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propan-1-ol?
2,2-difluoro-3-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propan-1-ol has a molecular weight of 249.30 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propan-1-ol is sourced from PubChem (CID 106176880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).