7-[(2R)-2-[4-(trifluoromethyl)phenoxy]propyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide

C16H20F3NO3S — CID 168907431

IUPAC7-[(2R)-2-[4-(trifluoromethyl)phenoxy]propyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide
SMILESC[C@H](CN1CCC2(C1)CS(=O)(=O)C2)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H20F3NO3S/c1-12(23-14-4-2-13(3-5-14)16(17,18)19)8-20-7-6-15(9-20)10-24(21,22)11-15/h2-5,12H,6-11H2,1H3/t12-/m1/s1
InChIKeyCPBLCEURCKPVKV-GFCCVEGCSA-N
MW363.40 g/mol
LogP2.59
Rot. Bonds4

About 7-[(2R)-2-[4-(trifluoromethyl)phenoxy]propyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide

7-[(2R)-2-[4-(trifluoromethyl)phenoxy]propyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide (PubChem CID 168907431) has the molecular formula C16H20F3NO3S and a molecular weight of 363.40 g/mol. Its IUPAC name is 7-[(2R)-2-[4-(trifluoromethyl)phenoxy]propyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide.

Molecular Properties

Compound Name7-[(2R)-2-[4-(trifluoromethyl)phenoxy]propyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide
PubChem CID168907431
Molecular FormulaC16H20F3NO3S
Molecular Weight363.40 g/mol
Exact Mass363.11
IUPAC Name7-[(2R)-2-[4-(trifluoromethyl)phenoxy]propyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide
SMILESC[C@H](CN1CCC2(C1)CS(=O)(=O)C2)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H20F3NO3S/c1-12(23-14-4-2-13(3-5-14)16(17,18)19)8-20-7-6-15(9-20)10-24(21,22)11-15/h2-5,12H,6-11H2,1H3/t12-/m1/s1
InChIKeyCPBLCEURCKPVKV-GFCCVEGCSA-N
XLogP2.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-[(2R)-2-[4-(trifluoromethyl)phenoxy]propyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide with MolForge

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Related Compounds

7-[(2S)-2-[4-(trifluoromethyl)phenoxy]propyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide
CID 168907683
7-[(2S)-2-fluoro-3-[4-(trifluoromethyl)phenyl]propyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide
CID 168907503
7-[(2S)-2-(3,4-difluorophenoxy)propyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide
CID 168907429
7-[(2R)-2-(3,4-difluorophenoxy)propyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide
CID 168907559
7-[(2R)-2-methyl-3-[4-(trifluoromethyl)phenyl]propyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide
CID 168907498
7-[[1-[4-(trifluoromethyl)phenoxy]cyclobutyl]methyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide
CID 168907572
7-[2-(4-fluorophenoxy)-2-methylpropyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide
CID 168907445
7-[2-[4-(trifluoromethyl)phenoxy]ethyl]-2λ4-thia-7-azaspiro[3.4]octane 2-oxide
CID 168907519
(2,2-dioxo-2λ6-thia-7-azaspiro[3.5]nonan-7-yl)-[1-[4-(trifluoromethyl)phenoxy]cyclopentyl]methanone
CID 168907554
3-methyl-1-[2-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-3-carboxylic acid
CID 122046240
8-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155849856
7-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide
CID 168907187

Frequently Asked Questions

What is the IUPAC name of 7-[(2R)-2-[4-(trifluoromethyl)phenoxy]propyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide?
The IUPAC name of 7-[(2R)-2-[4-(trifluoromethyl)phenoxy]propyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide (CID 168907431) is 7-[(2R)-2-[4-(trifluoromethyl)phenoxy]propyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide.
What is the SMILES notation for 7-[(2R)-2-[4-(trifluoromethyl)phenoxy]propyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide?
The canonical SMILES for 7-[(2R)-2-[4-(trifluoromethyl)phenoxy]propyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide is C[C@H](CN1CCC2(C1)CS(=O)(=O)C2)Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 7-[(2R)-2-[4-(trifluoromethyl)phenoxy]propyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide?
The InChIKey is CPBLCEURCKPVKV-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20F3NO3S/c1-12(23-14-4-2-13(3-5-14)16(17,18)19)8-20-7-6-15(9-20)10-24(21,22)11-15/h2-5,12H,6-11H2,1H3/t12-/m1/s1.
What are the key properties of 7-[(2R)-2-[4-(trifluoromethyl)phenoxy]propyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide?
7-[(2R)-2-[4-(trifluoromethyl)phenoxy]propyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide has a molecular weight of 363.40 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R)-2-[4-(trifluoromethyl)phenoxy]propyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide is sourced from PubChem (CID 168907431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).