3-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2,2-difluoropropan-1-ol

C11H19F2NO3 — CID 106176039

IUPAC3-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNC1CCOC2(CCOC2)C1
InChIInChI=1S/C11H19F2NO3/c12-11(13,7-15)6-14-9-1-3-17-10(5-9)2-4-16-8-10/h9,14-15H,1-8H2
InChIKeyHJOOSVUHSXKAIN-UHFFFAOYSA-N
MW251.27 g/mol
LogP0.54
Rot. Bonds4

About 3-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2,2-difluoropropan-1-ol

3-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2,2-difluoropropan-1-ol (PubChem CID 106176039) has the molecular formula C11H19F2NO3 and a molecular weight of 251.27 g/mol. Its IUPAC name is 3-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2,2-difluoropropan-1-ol
PubChem CID106176039
Molecular FormulaC11H19F2NO3
Molecular Weight251.27 g/mol
Exact Mass251.13
IUPAC Name3-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNC1CCOC2(CCOC2)C1
InChIInChI=1S/C11H19F2NO3/c12-11(13,7-15)6-14-9-1-3-17-10(5-9)2-4-16-8-10/h9,14-15H,1-8H2
InChIKeyHJOOSVUHSXKAIN-UHFFFAOYSA-N
XLogP0.54
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2,2-trifluoroethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79897804
N-(3,3,3-trifluoropropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79904036
N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 79904193
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 79914459
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 79915155
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 79915391
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 79953929
1-(2,6-dioxaspiro[4.5]decan-9-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 79954781
1-(2,6-dioxaspiro[4.5]decan-9-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 79959287
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148253
3-(2,2-difluoroethoxy)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylpropan-1-amine
CID 103149172
3-(2,2-difluoroethoxy)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethylpropan-1-amine
CID 103149505

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2,2-difluoropropan-1-ol?
The IUPAC name of 3-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2,2-difluoropropan-1-ol (CID 106176039) is 3-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2,2-difluoropropan-1-ol is OCC(F)(F)CNC1CCOC2(CCOC2)C1.
What is the InChIKey of 3-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2,2-difluoropropan-1-ol?
The InChIKey is HJOOSVUHSXKAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO3/c12-11(13,7-15)6-14-9-1-3-17-10(5-9)2-4-16-8-10/h9,14-15H,1-8H2.
What are the key properties of 3-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2,2-difluoropropan-1-ol?
3-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2,2-difluoropropan-1-ol has a molecular weight of 251.27 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2,2-difluoropropan-1-ol is sourced from PubChem (CID 106176039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).