[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrol-2-yl]methanol

C8H10F3NOS — CID 116617014

IUPAC[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrol-2-yl]methanol
SMILESOCc1cccn1CCSC(F)(F)F
InChIInChI=1S/C8H10F3NOS/c9-8(10,11)14-5-4-12-3-1-2-7(12)6-13/h1-3,13H,4-6H2
InChIKeyQILJGCUEYMVPDI-UHFFFAOYSA-N
MW225.23 g/mol
LogP2.23
Rot. Bonds4

About [1-[2-(trifluoromethylsulfanyl)ethyl]pyrrol-2-yl]methanol

[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrol-2-yl]methanol (PubChem CID 116617014) has the molecular formula C8H10F3NOS and a molecular weight of 225.23 g/mol. Its IUPAC name is [1-[2-(trifluoromethylsulfanyl)ethyl]pyrrol-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrol-2-yl]methanol
PubChem CID116617014
Molecular FormulaC8H10F3NOS
Molecular Weight225.23 g/mol
Exact Mass225.04
IUPAC Name[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrol-2-yl]methanol
SMILESOCc1cccn1CCSC(F)(F)F
InChIInChI=1S/C8H10F3NOS/c9-8(10,11)14-5-4-12-3-1-2-7(12)6-13/h1-3,13H,4-6H2
InChIKeyQILJGCUEYMVPDI-UHFFFAOYSA-N
XLogP2.23
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrol-2-yl]ethanamine
CID 116618047
1-[2-(trifluoromethylsulfanyl)ethyl]indol-4-amine
CID 116615863
3-[2-(trifluoromethylsulfanyl)ethyl]-1H-imidazole-2-thione
CID 106431255
N-[1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrol-2-yl]ethyl]propan-1-amine
CID 116617073
7-chloro-1-[2-(trifluoromethylsulfanyl)ethyl]indole
CID 103475019
[1-(2-tert-butylsulfonylethyl)pyrrol-2-yl]methanol
CID 106717193
[1-(2-methylsulfonylethyl)pyrrol-2-yl]methanol
CID 66398455
[1-(2-pyrazol-1-ylethyl)pyrrol-2-yl]methanol
CID 66398040
[1-[3-(dimethylamino)propyl]pyrrol-2-yl]methanol
CID 114526143
5-[2-(hydroxymethyl)pyrrol-1-yl]pentanenitrile
CID 66400569
5-[2-(hydroxymethyl)pyrrol-1-yl]-2,2-dimethylpentanenitrile
CID 66397395
[2-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-triazol-3-yl]methanol
CID 116618007

Frequently Asked Questions

What is the IUPAC name of [1-[2-(trifluoromethylsulfanyl)ethyl]pyrrol-2-yl]methanol?
The IUPAC name of [1-[2-(trifluoromethylsulfanyl)ethyl]pyrrol-2-yl]methanol (CID 116617014) is [1-[2-(trifluoromethylsulfanyl)ethyl]pyrrol-2-yl]methanol.
What is the SMILES notation for [1-[2-(trifluoromethylsulfanyl)ethyl]pyrrol-2-yl]methanol?
The canonical SMILES for [1-[2-(trifluoromethylsulfanyl)ethyl]pyrrol-2-yl]methanol is OCc1cccn1CCSC(F)(F)F.
What is the InChIKey of [1-[2-(trifluoromethylsulfanyl)ethyl]pyrrol-2-yl]methanol?
The InChIKey is QILJGCUEYMVPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NOS/c9-8(10,11)14-5-4-12-3-1-2-7(12)6-13/h1-3,13H,4-6H2.
What are the key properties of [1-[2-(trifluoromethylsulfanyl)ethyl]pyrrol-2-yl]methanol?
[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrol-2-yl]methanol has a molecular weight of 225.23 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(trifluoromethylsulfanyl)ethyl]pyrrol-2-yl]methanol is sourced from PubChem (CID 116617014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).