2-(trifluoromethyl)thiolan-3-one

C5H5F3OS — CID 174336178

IUPAC2-(trifluoromethyl)thiolan-3-one
SMILESO=C1CCSC1C(F)(F)F
InChIInChI=1S/C5H5F3OS/c6-5(7,8)4-3(9)1-2-10-4/h4H,1-2H2
InChIKeyUVYBTSDXOSBKNL-UHFFFAOYSA-N
MW170.15 g/mol
LogP1.62
Rot. Bonds

About 2-(trifluoromethyl)thiolan-3-one

2-(trifluoromethyl)thiolan-3-one (PubChem CID 174336178) has the molecular formula C5H5F3OS and a molecular weight of 170.15 g/mol. Its IUPAC name is 2-(trifluoromethyl)thiolan-3-one.

Molecular Properties

Compound Name2-(trifluoromethyl)thiolan-3-one
PubChem CID174336178
Molecular FormulaC5H5F3OS
Molecular Weight170.15 g/mol
Exact Mass170.00
IUPAC Name2-(trifluoromethyl)thiolan-3-one
SMILESO=C1CCSC1C(F)(F)F
InChIInChI=1S/C5H5F3OS/c6-5(7,8)4-3(9)1-2-10-4/h4H,1-2H2
InChIKeyUVYBTSDXOSBKNL-UHFFFAOYSA-N
XLogP1.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.15
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-oxothiolane-2-carboxylic acid
CID 70363105
2-(trichloromethyl)-1,3-oxathian-6-one
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(2S)-2-propan-2-ylthiolan-3-one
CID 22859542
2,3,4a,5,6,7,8,8a-octahydrothiochromen-4-one
CID 6424605
(2R)-2-propylthiolan-3-one
CID 70123125
2-(2,2,2-trifluoroacetyl)thian-4-one
CID 45081083
(2S)-2-(trifluoromethyl)cyclohexan-1-one
CID 7021848
1-[4-hydroxy-5-(trifluoromethyl)-2,5-dihydrothiophen-3-yl]ethanone
CID 174610147
2-(trifluoromethyl)-2,3,4a,6,7,7a-hexahydro-1H-thieno[3,2-d]pyrimidin-4-one
CID 170906568
2-(1,3-dithiolan-2-yl)cyclobutan-1-one
CID 134937197
(5R)-5-(trifluoromethyl)pyrrolidin-2-one
CID 66570764
2-(4-methoxybutyl)thiolan-3-one
CID 44721128

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)thiolan-3-one?
The IUPAC name of 2-(trifluoromethyl)thiolan-3-one (CID 174336178) is 2-(trifluoromethyl)thiolan-3-one.
What is the SMILES notation for 2-(trifluoromethyl)thiolan-3-one?
The canonical SMILES for 2-(trifluoromethyl)thiolan-3-one is O=C1CCSC1C(F)(F)F.
What is the InChIKey of 2-(trifluoromethyl)thiolan-3-one?
The InChIKey is UVYBTSDXOSBKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3OS/c6-5(7,8)4-3(9)1-2-10-4/h4H,1-2H2.
What are the key properties of 2-(trifluoromethyl)thiolan-3-one?
2-(trifluoromethyl)thiolan-3-one has a molecular weight of 170.15 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)thiolan-3-one is sourced from PubChem (CID 174336178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).