1,1,1-trifluoro-3-(2-methylthiomorpholin-4-yl)propan-2-ol

C8H14F3NOS — CID 104709037

IUPAC1,1,1-trifluoro-3-(2-methylthiomorpholin-4-yl)propan-2-ol
SMILESCC1CN(CC(O)C(F)(F)F)CCS1
InChIInChI=1S/C8H14F3NOS/c1-6-4-12(2-3-14-6)5-7(13)8(9,10)11/h6-7,13H,2-5H2,1H3
InChIKeyUWDNVWYBNLCTAX-UHFFFAOYSA-N
MW229.27 g/mol
LogP1.35
Rot. Bonds2

About 1,1,1-trifluoro-3-(2-methylthiomorpholin-4-yl)propan-2-ol

1,1,1-trifluoro-3-(2-methylthiomorpholin-4-yl)propan-2-ol (PubChem CID 104709037) has the molecular formula C8H14F3NOS and a molecular weight of 229.27 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(2-methylthiomorpholin-4-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(2-methylthiomorpholin-4-yl)propan-2-ol
PubChem CID104709037
Molecular FormulaC8H14F3NOS
Molecular Weight229.27 g/mol
Exact Mass229.07
IUPAC Name1,1,1-trifluoro-3-(2-methylthiomorpholin-4-yl)propan-2-ol
SMILESCC1CN(CC(O)C(F)(F)F)CCS1
InChIInChI=1S/C8H14F3NOS/c1-6-4-12(2-3-14-6)5-7(13)8(9,10)11/h6-7,13H,2-5H2,1H3
InChIKeyUWDNVWYBNLCTAX-UHFFFAOYSA-N
XLogP1.35
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
N-(2-hydroxyethyl)-2,6-dimethylthio-morpholine
CID 64119799
2-(2-Methylthiomorpholin-4-yl)ethanol
CID 86005948
(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
(2S)-1,1,1-trifluoro-3-thiomorpholin-4-ium-4-ylpropan-2-ol
CID 6987123
1,1,1-Trifluoro-3-(1-oxo-1,4-thiazinan-4-yl)propan-2-ol
CID 63899800
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
(2S)-3-[2-tert-butylsulfanylethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol
CID 100751375
(2R)-3-[2-tert-butylsulfanylethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol
CID 100751382

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(2-methylthiomorpholin-4-yl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(2-methylthiomorpholin-4-yl)propan-2-ol (CID 104709037) is 1,1,1-trifluoro-3-(2-methylthiomorpholin-4-yl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(2-methylthiomorpholin-4-yl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(2-methylthiomorpholin-4-yl)propan-2-ol is CC1CN(CC(O)C(F)(F)F)CCS1.
What is the InChIKey of 1,1,1-trifluoro-3-(2-methylthiomorpholin-4-yl)propan-2-ol?
The InChIKey is UWDNVWYBNLCTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NOS/c1-6-4-12(2-3-14-6)5-7(13)8(9,10)11/h6-7,13H,2-5H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-(2-methylthiomorpholin-4-yl)propan-2-ol?
1,1,1-trifluoro-3-(2-methylthiomorpholin-4-yl)propan-2-ol has a molecular weight of 229.27 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(2-methylthiomorpholin-4-yl)propan-2-ol is sourced from PubChem (CID 104709037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).