2-cyclopentylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone

C14H15F3OS — CID 2381216

IUPAC2-cyclopentylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone
SMILESO=C(CSC1CCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H15F3OS/c15-14(16,17)11-5-3-4-10(8-11)13(18)9-19-12-6-1-2-7-12/h3-5,8,12H,1-2,6-7,9H2
InChIKeyIBOXVQUWXWKXQK-UHFFFAOYSA-N
MW288.33 g/mol
LogP4.56
Rot. Bonds4

About 2-cyclopentylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone

2-cyclopentylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 2381216) has the molecular formula C14H15F3OS and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone
PubChem CID2381216
Molecular FormulaC14H15F3OS
Molecular Weight288.33 g/mol
Exact Mass288.08
IUPAC Name2-cyclopentylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone
SMILESO=C(CSC1CCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H15F3OS/c15-14(16,17)11-5-3-4-10(8-11)13(18)9-19-12-6-1-2-7-12/h3-5,8,12H,1-2,6-7,9H2
InChIKeyIBOXVQUWXWKXQK-UHFFFAOYSA-N
XLogP4.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone
CID 65139426
2-cyclopentylsulfanyl-1-(3-nitrophenyl)ethanone
CID 63115450
2-prop-2-ynylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone
CID 19972096
2-(azetidin-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanone
CID 116582339
2-iodo-1-[3-(trifluoromethyl)phenyl]ethanone
CID 22137990
2-(2-hydroxyphenyl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone
CID 141495057
2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(trifluoromethyl)phenyl]ethanone
CID 79558524
2-cyclohexylsulfanyl-1-(2,6-difluorophenyl)ethanone
CID 60884745
2-cyclohexylsulfanyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
CID 60645369
[2-(aminomethyl)cyclohexyl]-[3-(trifluoromethyl)phenyl]methanone
CID 116584636
1-[3-(trifluoromethyl)benzoyl]piperidine-2-carboxylic acid
CID 43079381
2-cyclohexylsulfanyl-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanone
CID 65139680

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-cyclopentylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone (CID 2381216) is 2-cyclopentylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-cyclopentylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-cyclopentylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone is O=C(CSC1CCCC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-cyclopentylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is IBOXVQUWXWKXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3OS/c15-14(16,17)11-5-3-4-10(8-11)13(18)9-19-12-6-1-2-7-12/h3-5,8,12H,1-2,6-7,9H2.
What are the key properties of 2-cyclopentylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone?
2-cyclopentylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 288.33 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 2381216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).