3-(2-ethylthiomorpholin-4-yl)-1,1,1-trifluoropropan-2-ol

C9H16F3NOS — CID 104568573

IUPAC3-(2-ethylthiomorpholin-4-yl)-1,1,1-trifluoropropan-2-ol
SMILESCCC1CN(CC(O)C(F)(F)F)CCS1
InChIInChI=1S/C9H16F3NOS/c1-2-7-5-13(3-4-15-7)6-8(14)9(10,11)12/h7-8,14H,2-6H2,1H3
InChIKeyIQQKTMJJJUDXNJ-UHFFFAOYSA-N
MW243.29 g/mol
LogP1.74
Rot. Bonds3

About 3-(2-ethylthiomorpholin-4-yl)-1,1,1-trifluoropropan-2-ol

3-(2-ethylthiomorpholin-4-yl)-1,1,1-trifluoropropan-2-ol (PubChem CID 104568573) has the molecular formula C9H16F3NOS and a molecular weight of 243.29 g/mol. Its IUPAC name is 3-(2-ethylthiomorpholin-4-yl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(2-ethylthiomorpholin-4-yl)-1,1,1-trifluoropropan-2-ol
PubChem CID104568573
Molecular FormulaC9H16F3NOS
Molecular Weight243.29 g/mol
Exact Mass243.09
IUPAC Name3-(2-ethylthiomorpholin-4-yl)-1,1,1-trifluoropropan-2-ol
SMILESCCC1CN(CC(O)C(F)(F)F)CCS1
InChIInChI=1S/C9H16F3NOS/c1-2-7-5-13(3-4-15-7)6-8(14)9(10,11)12/h7-8,14H,2-6H2,1H3
InChIKeyIQQKTMJJJUDXNJ-UHFFFAOYSA-N
XLogP1.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Butylthio)-3-piperidin-1-ylpropan-2-ol
CID 2858776
1-(2,2-Dimethylthiomorpholin-4-yl)butan-2-ol
CID 111930096
1-(2,2-Dimethylthiomorpholin-4-yl)propan-2-ol
CID 116406132
1,1,1-Trifluoro-3-(1,4-thiazinan-4-yl)-2-propanol
CID 3696368
[4-Propan-2-yl-5-(trifluoromethyl)thiomorpholin-3-yl]methanol
CID 176871809
(2S)-1,1,1-trifluoro-3-thiomorpholin-4-ylpropan-2-ol
CID 1484900
(2R)-1,1,1-trifluoro-3-thiomorpholin-4-ylpropan-2-ol
CID 1484901
1-(Dibutylamino)-3-propan-2-ylsulfanylpropan-2-ol
CID 3040153
1,1,1-Trifluoro-3-(3-methylthiomorpholino)propan-2-ol
CID 64053391
3-(2,6-Dimethylthiomorpholin-4-yl)-1,1,1-trifluoropropan-2-ol
CID 64117222
3-[2-(Diethylamino)ethylsulfanyl]-1,1,1-trifluoropropan-2-ol
CID 65669034
(2S)-3-[2-tert-butylsulfanylethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol
CID 100751375

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylthiomorpholin-4-yl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(2-ethylthiomorpholin-4-yl)-1,1,1-trifluoropropan-2-ol (CID 104568573) is 3-(2-ethylthiomorpholin-4-yl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(2-ethylthiomorpholin-4-yl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(2-ethylthiomorpholin-4-yl)-1,1,1-trifluoropropan-2-ol is CCC1CN(CC(O)C(F)(F)F)CCS1.
What is the InChIKey of 3-(2-ethylthiomorpholin-4-yl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is IQQKTMJJJUDXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NOS/c1-2-7-5-13(3-4-15-7)6-8(14)9(10,11)12/h7-8,14H,2-6H2,1H3.
What are the key properties of 3-(2-ethylthiomorpholin-4-yl)-1,1,1-trifluoropropan-2-ol?
3-(2-ethylthiomorpholin-4-yl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 243.29 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylthiomorpholin-4-yl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 104568573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).