thiolan-3-yl-(2,4,6-trifluorophenyl)methanone

C11H9F3OS — CID 65098564

IUPACthiolan-3-yl-(2,4,6-trifluorophenyl)methanone
SMILESO=C(c1c(F)cc(F)cc1F)C1CCSC1
InChIInChI=1S/C11H9F3OS/c12-7-3-8(13)10(9(14)4-7)11(15)6-1-2-16-5-6/h3-4,6H,1-2,5H2
InChIKeyUVFMMUCWKWLECC-UHFFFAOYSA-N
MW246.25 g/mol
LogP3.04
Rot. Bonds2

About thiolan-3-yl-(2,4,6-trifluorophenyl)methanone

thiolan-3-yl-(2,4,6-trifluorophenyl)methanone (PubChem CID 65098564) has the molecular formula C11H9F3OS and a molecular weight of 246.25 g/mol. Its IUPAC name is thiolan-3-yl-(2,4,6-trifluorophenyl)methanone.

Molecular Properties

Compound Namethiolan-3-yl-(2,4,6-trifluorophenyl)methanone
PubChem CID65098564
Molecular FormulaC11H9F3OS
Molecular Weight246.25 g/mol
Exact Mass246.03
IUPAC Namethiolan-3-yl-(2,4,6-trifluorophenyl)methanone
SMILESO=C(c1c(F)cc(F)cc1F)C1CCSC1
InChIInChI=1S/C11H9F3OS/c12-7-3-8(13)10(9(14)4-7)11(15)6-1-2-16-5-6/h3-4,6H,1-2,5H2
InChIKeyUVFMMUCWKWLECC-UHFFFAOYSA-N
XLogP3.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-4,6-difluorophenyl)thiolane-3-carboxamide
CID 81313992
(5-fluoro-2-methoxyphenyl)-(thiolan-3-yl)methanone
CID 105125105
thiolan-3-yl-(2,3,4-trifluorophenyl)methanone
CID 115824372
(2-amino-5-fluorophenyl)-(thiolan-3-yl)methanone
CID 105483112
2-(5-chloro-2-fluorophenyl)-1-(thiolan-3-yl)ethanone
CID 103052592
(2,4-difluorophenyl)-(thietan-3-yl)methanone
CID 164657486
2-(2,6-difluorophenyl)-1-(thiolan-3-yl)ethanone
CID 105135754
(3R)-N-(5-fluoro-3-pyridinyl)thiolane-3-carboxamide
CID 129349225
2-(2-chloro-4-fluorophenyl)-1-(thiolan-3-yl)ethanone
CID 105088412
[1-(pyrrolidine-3-carbonyl)piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone
CID 119787931
thiomorpholin-4-yl-(2,4,6-trifluorophenyl)methanone
CID 164512728
pyridin-2-yl-[(3S)-thiolan-3-yl]methanone
CID 99934837

Frequently Asked Questions

What is the IUPAC name of thiolan-3-yl-(2,4,6-trifluorophenyl)methanone?
The IUPAC name of thiolan-3-yl-(2,4,6-trifluorophenyl)methanone (CID 65098564) is thiolan-3-yl-(2,4,6-trifluorophenyl)methanone.
What is the SMILES notation for thiolan-3-yl-(2,4,6-trifluorophenyl)methanone?
The canonical SMILES for thiolan-3-yl-(2,4,6-trifluorophenyl)methanone is O=C(c1c(F)cc(F)cc1F)C1CCSC1.
What is the InChIKey of thiolan-3-yl-(2,4,6-trifluorophenyl)methanone?
The InChIKey is UVFMMUCWKWLECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3OS/c12-7-3-8(13)10(9(14)4-7)11(15)6-1-2-16-5-6/h3-4,6H,1-2,5H2.
What are the key properties of thiolan-3-yl-(2,4,6-trifluorophenyl)methanone?
thiolan-3-yl-(2,4,6-trifluorophenyl)methanone has a molecular weight of 246.25 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thiolan-3-yl-(2,4,6-trifluorophenyl)methanone is sourced from PubChem (CID 65098564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).