2,2-difluoro-3-(6-oxaspiro[4.5]decan-9-ylamino)propan-1-ol

C12H21F2NO2 — CID 106176420

IUPAC2,2-difluoro-3-(6-oxaspiro[4.5]decan-9-ylamino)propan-1-ol
SMILESOCC(F)(F)CNC1CCOC2(CCCC2)C1
InChIInChI=1S/C12H21F2NO2/c13-12(14,9-16)8-15-10-3-6-17-11(7-10)4-1-2-5-11/h10,15-16H,1-9H2
InChIKeySYHGBMFEZWJYNP-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.70
Rot. Bonds4

About 2,2-difluoro-3-(6-oxaspiro[4.5]decan-9-ylamino)propan-1-ol

2,2-difluoro-3-(6-oxaspiro[4.5]decan-9-ylamino)propan-1-ol (PubChem CID 106176420) has the molecular formula C12H21F2NO2 and a molecular weight of 249.30 g/mol. Its IUPAC name is 2,2-difluoro-3-(6-oxaspiro[4.5]decan-9-ylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-(6-oxaspiro[4.5]decan-9-ylamino)propan-1-ol
PubChem CID106176420
Molecular FormulaC12H21F2NO2
Molecular Weight249.30 g/mol
Exact Mass249.15
IUPAC Name2,2-difluoro-3-(6-oxaspiro[4.5]decan-9-ylamino)propan-1-ol
SMILESOCC(F)(F)CNC1CCOC2(CCCC2)C1
InChIInChI=1S/C12H21F2NO2/c13-12(14,9-16)8-15-10-3-6-17-11(7-10)4-1-2-5-11/h10,15-16H,1-9H2
InChIKeySYHGBMFEZWJYNP-UHFFFAOYSA-N
XLogP1.70
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

1-(3,3-Difluorocyclopentyl)-2-piperidin-2-ylethanol
CID 177970849
1-[(1R)-3,3-difluorocyclopentyl]-2-piperidin-2-ylethanol
CID 177970939
1-[(1S)-3,3-difluorocyclopentyl]-2-piperidin-2-ylethanol
CID 177971208
2-ethyl-2-methyl-N-(3,3,3-trifluoropropyl)oxan-4-amine
CID 64102494
2-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 64106293
[2-Ethyl-2-methyl-4-(2,2,2-trifluoroethylamino)oxan-4-yl]methanol
CID 64139072
N-(2,2,2-trifluoroethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897879
N-(2,2,2-trifluoroethyl)-6-oxaspiro[4.5]decan-9-amine
CID 79897957
N-(2,2,2-trifluoroethyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79898038
N-(3,3,3-trifluoropropyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79903112
N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-oxaspiro[4.5]decan-9-amine
CID 79903198
N-(3,3,3-trifluoropropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79904109

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(6-oxaspiro[4.5]decan-9-ylamino)propan-1-ol?
The IUPAC name of 2,2-difluoro-3-(6-oxaspiro[4.5]decan-9-ylamino)propan-1-ol (CID 106176420) is 2,2-difluoro-3-(6-oxaspiro[4.5]decan-9-ylamino)propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-(6-oxaspiro[4.5]decan-9-ylamino)propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-(6-oxaspiro[4.5]decan-9-ylamino)propan-1-ol is OCC(F)(F)CNC1CCOC2(CCCC2)C1.
What is the InChIKey of 2,2-difluoro-3-(6-oxaspiro[4.5]decan-9-ylamino)propan-1-ol?
The InChIKey is SYHGBMFEZWJYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO2/c13-12(14,9-16)8-15-10-3-6-17-11(7-10)4-1-2-5-11/h10,15-16H,1-9H2.
What are the key properties of 2,2-difluoro-3-(6-oxaspiro[4.5]decan-9-ylamino)propan-1-ol?
2,2-difluoro-3-(6-oxaspiro[4.5]decan-9-ylamino)propan-1-ol has a molecular weight of 249.30 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(6-oxaspiro[4.5]decan-9-ylamino)propan-1-ol is sourced from PubChem (CID 106176420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).