thiomorpholin-4-yl-[4-(trifluoromethyl)phenyl]methanone

C12H12F3NOS — CID 146080386

IUPACthiomorpholin-4-yl-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCSCC1
InChIInChI=1S/C12H12F3NOS/c13-12(14,15)10-3-1-9(2-4-10)11(17)16-5-7-18-8-6-16/h1-4H,5-8H2
InChIKeyAMQLMHZBEFLXPX-UHFFFAOYSA-N
MW275.29 g/mol
LogP2.89
Rot. Bonds1

About thiomorpholin-4-yl-[4-(trifluoromethyl)phenyl]methanone

thiomorpholin-4-yl-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 146080386) has the molecular formula C12H12F3NOS and a molecular weight of 275.29 g/mol. Its IUPAC name is thiomorpholin-4-yl-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Namethiomorpholin-4-yl-[4-(trifluoromethyl)phenyl]methanone
PubChem CID146080386
Molecular FormulaC12H12F3NOS
Molecular Weight275.29 g/mol
Exact Mass275.06
IUPAC Namethiomorpholin-4-yl-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCSCC1
InChIInChI=1S/C12H12F3NOS/c13-12(14,15)10-3-1-9(2-4-10)11(17)16-5-7-18-8-6-16/h1-4H,5-8H2
InChIKeyAMQLMHZBEFLXPX-UHFFFAOYSA-N
XLogP2.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(4-bromobenzoyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 108534348
(4-methylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone chloride
CID 53350752
(4-hydroxypiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 139087671
(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 131702366
(4-ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 2422199
[3-bromo-4-(trifluoromethyl)phenyl]-thiomorpholin-4-ylmethanone
CID 176508144
(3,4-dihydroxypyrrolidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 106671798
[4-(2-chloroethyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 63395121
(4,4-dimethoxypiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 84582397
1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonitrile
CID 39381919
[4-(4-hydroxyphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 8779377
[2-methoxy-5-(trifluoromethyl)phenyl]-thiomorpholin-4-ylmethanone
CID 164894079

Frequently Asked Questions

What is the IUPAC name of thiomorpholin-4-yl-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of thiomorpholin-4-yl-[4-(trifluoromethyl)phenyl]methanone (CID 146080386) is thiomorpholin-4-yl-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for thiomorpholin-4-yl-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for thiomorpholin-4-yl-[4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1)N1CCSCC1.
What is the InChIKey of thiomorpholin-4-yl-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is AMQLMHZBEFLXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NOS/c13-12(14,15)10-3-1-9(2-4-10)11(17)16-5-7-18-8-6-16/h1-4H,5-8H2.
What are the key properties of thiomorpholin-4-yl-[4-(trifluoromethyl)phenyl]methanone?
thiomorpholin-4-yl-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 275.29 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thiomorpholin-4-yl-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 146080386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).