(2S)-3-(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)-1,1,1-trifluoropropan-2-ol

C13H22F3NO2 — CID 99832114

IUPAC(2S)-3-(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)-1,1,1-trifluoropropan-2-ol
SMILESCC1(C)CN(C[C@H](O)C(F)(F)F)CC2(CCCC2)O1
InChIInChI=1S/C13H22F3NO2/c1-11(2)8-17(7-10(18)13(14,15)16)9-12(19-11)5-3-4-6-12/h10,18H,3-9H2,1-2H3/t10-/m0/s1
InChIKeyMFHXYTLAYYXCDY-JTQLQIEISA-N
MW281.32 g/mol
LogP2.33
Rot. Bonds2

About (2S)-3-(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)-1,1,1-trifluoropropan-2-ol

(2S)-3-(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)-1,1,1-trifluoropropan-2-ol (PubChem CID 99832114) has the molecular formula C13H22F3NO2 and a molecular weight of 281.32 g/mol. Its IUPAC name is (2S)-3-(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name(2S)-3-(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)-1,1,1-trifluoropropan-2-ol
PubChem CID99832114
Molecular FormulaC13H22F3NO2
Molecular Weight281.32 g/mol
Exact Mass281.16
IUPAC Name(2S)-3-(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)-1,1,1-trifluoropropan-2-ol
SMILESCC1(C)CN(C[C@H](O)C(F)(F)F)CC2(CCCC2)O1
InChIInChI=1S/C13H22F3NO2/c1-11(2)8-17(7-10(18)13(14,15)16)9-12(19-11)5-3-4-6-12/h10,18H,3-9H2,1-2H3/t10-/m0/s1
InChIKeyMFHXYTLAYYXCDY-JTQLQIEISA-N
XLogP2.33
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-3-(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)-1,1,1-trifluoropropan-2-ol with MolForge

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Related Compounds

1,1,1-Trifluoro-3-(9-oxa-6-azaspiro[4.5]decan-6-yl)propan-2-ol
CID 86792788
6,6,6-Trifluoro-2-methyl-2-morpholin-4-ylhexan-3-ol
CID 79045363
4,4,4-Trifluoro-1-(1-morpholin-4-ylcyclopentyl)butan-1-ol
CID 79060223
1,1,1-Trifluoro-5-methyl-5-morpholin-4-ylheptan-4-ol
CID 79065246
(2S)-1,1,1-trifluoro-3-(9-oxa-6-azaspiro[4.5]decan-6-yl)propan-2-ol
CID 97881459
(2R)-1,1,1-trifluoro-3-(9-oxa-6-azaspiro[4.5]decan-6-yl)propan-2-ol
CID 97881460
(2R)-3-(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)-1,1,1-trifluoropropan-2-ol
CID 99832115
9-[2-(2,2,3,3-Tetrafluoropropoxy)ethyl]-6-oxa-9-azaspiro[4.5]decane
CID 100673737
4-Methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-ol
CID 103898101
2-[(5,5-Dimethyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 104889633
1,1,1-Trifluoro-3-(3-methoxy-3-methylpiperidin-1-yl)propan-2-ol
CID 107394200
2-[2,2-Difluoroethyl-[(5,5-dimethyloxolan-2-yl)methyl]amino]ethanol
CID 107485457

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of (2S)-3-(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)-1,1,1-trifluoropropan-2-ol (CID 99832114) is (2S)-3-(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for (2S)-3-(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for (2S)-3-(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)-1,1,1-trifluoropropan-2-ol is CC1(C)CN(C[C@H](O)C(F)(F)F)CC2(CCCC2)O1.
What is the InChIKey of (2S)-3-(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is MFHXYTLAYYXCDY-JTQLQIEISA-N. The full InChI is InChI=1S/C13H22F3NO2/c1-11(2)8-17(7-10(18)13(14,15)16)9-12(19-11)5-3-4-6-12/h10,18H,3-9H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-3-(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)-1,1,1-trifluoropropan-2-ol?
(2S)-3-(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 281.32 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 99832114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).