(1R)-2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol

C11H17F3O2S — CID 113404900

IUPAC(1R)-2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol
SMILESO[C@H](C1CCOC2(CCSCC2)C1)C(F)(F)F
InChIInChI=1S/C11H17F3O2S/c12-11(13,14)9(15)8-1-4-16-10(7-8)2-5-17-6-3-10/h8-9,15H,1-7H2/t8?,9-/m1/s1
InChIKeyCYMKHUOVSLURJV-YGPZHTELSA-N
MW270.32 g/mol
LogP2.60
Rot. Bonds1

About (1R)-2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol

(1R)-2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol (PubChem CID 113404900) has the molecular formula C11H17F3O2S and a molecular weight of 270.32 g/mol. Its IUPAC name is (1R)-2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol.

Molecular Properties

Compound Name(1R)-2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol
PubChem CID113404900
Molecular FormulaC11H17F3O2S
Molecular Weight270.32 g/mol
Exact Mass270.09
IUPAC Name(1R)-2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol
SMILESO[C@H](C1CCOC2(CCSCC2)C1)C(F)(F)F
InChIInChI=1S/C11H17F3O2S/c12-11(13,14)9(15)8-1-4-16-10(7-8)2-5-17-6-3-10/h8-9,15H,1-7H2/t8?,9-/m1/s1
InChIKeyCYMKHUOVSLURJV-YGPZHTELSA-N
XLogP2.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,2-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)ethanol
CID 79921915
2,2,2-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
CID 79921916
4,4,4-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-ol
CID 79954233
2,2-dimethoxy-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol
CID 79912513
2-ethylsulfanyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol
CID 79921924
3-methoxy-3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-ol
CID 103027641
2-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butane-1,2-diol
CID 103449203
1-oxa-9-thiaspiro[5.5]undecan-4-yl(piperidin-2-yl)methanol
CID 106634585
3,3,3-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(trifluoromethyl)propan-1-ol
CID 103312575
3-(dimethylamino)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-ol
CID 113291179
(1-ethylcyclopentyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 115823537
methyl 2-hydroxy-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)acetate
CID 79913062

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol?
The IUPAC name of (1R)-2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol (CID 113404900) is (1R)-2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol.
What is the SMILES notation for (1R)-2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol?
The canonical SMILES for (1R)-2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol is O[C@H](C1CCOC2(CCSCC2)C1)C(F)(F)F.
What is the InChIKey of (1R)-2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol?
The InChIKey is CYMKHUOVSLURJV-YGPZHTELSA-N. The full InChI is InChI=1S/C11H17F3O2S/c12-11(13,14)9(15)8-1-4-16-10(7-8)2-5-17-6-3-10/h8-9,15H,1-7H2/t8?,9-/m1/s1.
What are the key properties of (1R)-2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol?
(1R)-2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol has a molecular weight of 270.32 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol is sourced from PubChem (CID 113404900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).