2-methylsulfanyl-1-[2-(trifluoromethyl)cyclohexyl]ethanone

C10H15F3OS — CID 104622247

IUPAC2-methylsulfanyl-1-[2-(trifluoromethyl)cyclohexyl]ethanone
SMILESCSCC(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C10H15F3OS/c1-15-6-9(14)7-4-2-3-5-8(7)10(11,12)13/h7-8H,2-6H2,1H3
InChIKeyYHMILYMFWYBZLL-UHFFFAOYSA-N
MW240.29 g/mol
LogP3.29
Rot. Bonds3

About 2-methylsulfanyl-1-[2-(trifluoromethyl)cyclohexyl]ethanone

2-methylsulfanyl-1-[2-(trifluoromethyl)cyclohexyl]ethanone (PubChem CID 104622247) has the molecular formula C10H15F3OS and a molecular weight of 240.29 g/mol. Its IUPAC name is 2-methylsulfanyl-1-[2-(trifluoromethyl)cyclohexyl]ethanone.

Molecular Properties

Compound Name2-methylsulfanyl-1-[2-(trifluoromethyl)cyclohexyl]ethanone
PubChem CID104622247
Molecular FormulaC10H15F3OS
Molecular Weight240.29 g/mol
Exact Mass240.08
IUPAC Name2-methylsulfanyl-1-[2-(trifluoromethyl)cyclohexyl]ethanone
SMILESCSCC(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C10H15F3OS/c1-15-6-9(14)7-4-2-3-5-8(7)10(11,12)13/h7-8H,2-6H2,1H3
InChIKeyYHMILYMFWYBZLL-UHFFFAOYSA-N
XLogP3.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopentyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-one
CID 114192888
cis-(1R,2S)-2-(trifluoromethyl)cyclohexane-1-carbonyl fluoride
CID 45081770
2-(3,5-dimethylphenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
CID 105081315
2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 4206055
cis-methyl (1S,2R)-2-(trifluoromethyl)cyclohexane-1-carboxylate
CID 129381648
cyclopropyl-[2-(trifluoromethyl)cyclohexyl]methanone
CID 105107408
(2R)-4-methylsulfanyl-2-[[2-(trifluoromethyl)cyclohexanecarbonyl]amino]butanoic acid
CID 104906468
(2S)-4-methylsulfanyl-2-[[2-(trifluoromethyl)cyclohexanecarbonyl]amino]butanoic acid
CID 104621967
2-(furan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
CID 105125804
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107845636
azepan-1-yl-[2-(trifluoromethyl)cyclohexyl]methanone
CID 115583695
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
CID 103857587

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-1-[2-(trifluoromethyl)cyclohexyl]ethanone?
The IUPAC name of 2-methylsulfanyl-1-[2-(trifluoromethyl)cyclohexyl]ethanone (CID 104622247) is 2-methylsulfanyl-1-[2-(trifluoromethyl)cyclohexyl]ethanone.
What is the SMILES notation for 2-methylsulfanyl-1-[2-(trifluoromethyl)cyclohexyl]ethanone?
The canonical SMILES for 2-methylsulfanyl-1-[2-(trifluoromethyl)cyclohexyl]ethanone is CSCC(=O)C1CCCCC1C(F)(F)F.
What is the InChIKey of 2-methylsulfanyl-1-[2-(trifluoromethyl)cyclohexyl]ethanone?
The InChIKey is YHMILYMFWYBZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3OS/c1-15-6-9(14)7-4-2-3-5-8(7)10(11,12)13/h7-8H,2-6H2,1H3.
What are the key properties of 2-methylsulfanyl-1-[2-(trifluoromethyl)cyclohexyl]ethanone?
2-methylsulfanyl-1-[2-(trifluoromethyl)cyclohexyl]ethanone has a molecular weight of 240.29 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-1-[2-(trifluoromethyl)cyclohexyl]ethanone is sourced from PubChem (CID 104622247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).