[3-(hydroxymethyl)-4-(trifluoromethyl)pyrrol-1-yl] thiohypofluorite

C6H5F4NOS — CID 145171541

IUPAC[3-(hydroxymethyl)-4-(trifluoromethyl)pyrrol-1-yl] thiohypofluorite
SMILESOCc1cn(SF)cc1C(F)(F)F
InChIInChI=1S/C6H5F4NOS/c7-6(8,9)5-2-11(13-10)1-4(5)3-12/h1-2,12H,3H2
InChIKeyAISVPFBGPBSEMN-UHFFFAOYSA-N
MW215.17 g/mol
LogP2.38
Rot. Bonds2

About [3-(hydroxymethyl)-4-(trifluoromethyl)pyrrol-1-yl] thiohypofluorite

[3-(hydroxymethyl)-4-(trifluoromethyl)pyrrol-1-yl] thiohypofluorite (PubChem CID 145171541) has the molecular formula C6H5F4NOS and a molecular weight of 215.17 g/mol. Its IUPAC name is [3-(hydroxymethyl)-4-(trifluoromethyl)pyrrol-1-yl] thiohypofluorite.

Molecular Properties

Compound Name[3-(hydroxymethyl)-4-(trifluoromethyl)pyrrol-1-yl] thiohypofluorite
PubChem CID145171541
Molecular FormulaC6H5F4NOS
Molecular Weight215.17 g/mol
Exact Mass215.00
IUPAC Name[3-(hydroxymethyl)-4-(trifluoromethyl)pyrrol-1-yl] thiohypofluorite
SMILESOCc1cn(SF)cc1C(F)(F)F
InChIInChI=1S/C6H5F4NOS/c7-6(8,9)5-2-11(13-10)1-4(5)3-12/h1-2,12H,3H2
InChIKeyAISVPFBGPBSEMN-UHFFFAOYSA-N
XLogP2.38
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-propynyl)-3-trifluoromethyl-1H-pyrrole-4-methanol
CID 14370788
[1-(Trifluoromethyl)pyrrol-3-yl]methanol
CID 21221494
[1-Methyl-4-(trifluoromethyl)-1H-pyrrol-3-yl]methanol
CID 84656745
(4-Methyl-1-prop-2-enylpyrrol-3-yl)methanol
CID 134962578
[1-(Difluoromethyl)pyrrol-3-yl]methanol
CID 66397422
[1-(2,2,2-Trifluoroethyl)pyrrol-3-yl]methanol
CID 66398477
[1-(3,3,3-Trifluoropropyl)pyrrol-3-yl]methanol
CID 66399128
[1-(2,2-Difluoroethyl)pyrrol-3-yl]methanol
CID 82006918
(4-(Trifluoromethyl)-1H-pyrrol-3-YL)methanol
CID 84652001
[1-(4,4,4-Trifluorobutyl)pyrrol-3-yl]methanol
CID 115515037
[1-ethyl-4-(trifluoromethyl)-1H-pyrrol-3-yl]methanol
CID 165445295
[1-(propan-2-yl)-4-(trifluoromethyl)-1H-pyrrol-3-yl]methanol
CID 165448386

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-4-(trifluoromethyl)pyrrol-1-yl] thiohypofluorite?
The IUPAC name of [3-(hydroxymethyl)-4-(trifluoromethyl)pyrrol-1-yl] thiohypofluorite (CID 145171541) is [3-(hydroxymethyl)-4-(trifluoromethyl)pyrrol-1-yl] thiohypofluorite.
What is the SMILES notation for [3-(hydroxymethyl)-4-(trifluoromethyl)pyrrol-1-yl] thiohypofluorite?
The canonical SMILES for [3-(hydroxymethyl)-4-(trifluoromethyl)pyrrol-1-yl] thiohypofluorite is OCc1cn(SF)cc1C(F)(F)F.
What is the InChIKey of [3-(hydroxymethyl)-4-(trifluoromethyl)pyrrol-1-yl] thiohypofluorite?
The InChIKey is AISVPFBGPBSEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F4NOS/c7-6(8,9)5-2-11(13-10)1-4(5)3-12/h1-2,12H,3H2.
What are the key properties of [3-(hydroxymethyl)-4-(trifluoromethyl)pyrrol-1-yl] thiohypofluorite?
[3-(hydroxymethyl)-4-(trifluoromethyl)pyrrol-1-yl] thiohypofluorite has a molecular weight of 215.17 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-4-(trifluoromethyl)pyrrol-1-yl] thiohypofluorite is sourced from PubChem (CID 145171541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).