1-(4-methylthiomorpholin-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol

C14H18F3NOS — CID 103595739

IUPAC1-(4-methylthiomorpholin-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
SMILESCN1CCSCC1C(O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3NOS/c1-18-6-7-20-9-12(18)13(19)8-10-2-4-11(5-3-10)14(15,16)17/h2-5,12-13,19H,6-9H2,1H3
InChIKeyKAELCQFIBGSGRV-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.66
Rot. Bonds3

About 1-(4-methylthiomorpholin-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol

1-(4-methylthiomorpholin-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol (PubChem CID 103595739) has the molecular formula C14H18F3NOS and a molecular weight of 305.37 g/mol. Its IUPAC name is 1-(4-methylthiomorpholin-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name1-(4-methylthiomorpholin-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
PubChem CID103595739
Molecular FormulaC14H18F3NOS
Molecular Weight305.37 g/mol
Exact Mass305.11
IUPAC Name1-(4-methylthiomorpholin-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
SMILESCN1CCSCC1C(O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3NOS/c1-18-6-7-20-9-12(18)13(19)8-10-2-4-11(5-3-10)14(15,16)17/h2-5,12-13,19H,6-9H2,1H3
InChIKeyKAELCQFIBGSGRV-UHFFFAOYSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-dimethylpiperazin-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 79663724
2-(furan-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595628
1-(4-methylthiomorpholin-3-yl)-2-pyridin-3-ylethanol
CID 103595725
1-(4-methylthiomorpholin-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 106444508
1-cyclopentyl-2-[4-(trifluoromethyl)phenyl]ethanol
CID 62607269
(4-ethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine
CID 106444378
1-(2-methylcyclopentyl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 107183450
2-cyclopentyl-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595741
2-(3,4-difluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106444825
(1-ethylimidazol-2-yl)-(4-methylthiomorpholin-3-yl)methanol
CID 103595608
1-(3-ethylcyclopentyl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 65410943
(3,5-difluorophenyl)-(4-methylthiomorpholin-3-yl)methanol
CID 103595528

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylthiomorpholin-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 1-(4-methylthiomorpholin-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol (CID 103595739) is 1-(4-methylthiomorpholin-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 1-(4-methylthiomorpholin-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 1-(4-methylthiomorpholin-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol is CN1CCSCC1C(O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(4-methylthiomorpholin-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is KAELCQFIBGSGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NOS/c1-18-6-7-20-9-12(18)13(19)8-10-2-4-11(5-3-10)14(15,16)17/h2-5,12-13,19H,6-9H2,1H3.
What are the key properties of 1-(4-methylthiomorpholin-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol?
1-(4-methylthiomorpholin-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 305.37 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylthiomorpholin-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 103595739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).