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

C9H13F3N2S — CID 116618047

IUPAC2-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrol-2-yl]ethanamine
SMILESNCCc1cccn1CCSC(F)(F)F
InChIInChI=1S/C9H13F3N2S/c10-9(11,12)15-7-6-14-5-1-2-8(14)3-4-13/h1-2,5H,3-4,6-7,13H2
InChIKeyQGANKIOPXGEDSQ-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.24
Rot. Bonds5

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

2-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrol-2-yl]ethanamine (PubChem CID 116618047) has the molecular formula C9H13F3N2S and a molecular weight of 238.28 g/mol. Its IUPAC name is 2-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrol-2-yl]ethanamine
PubChem CID116618047
Molecular FormulaC9H13F3N2S
Molecular Weight238.28 g/mol
Exact Mass238.08
IUPAC Name2-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrol-2-yl]ethanamine
SMILESNCCc1cccn1CCSC(F)(F)F
InChIInChI=1S/C9H13F3N2S/c10-9(11,12)15-7-6-14-5-1-2-8(14)3-4-13/h1-2,5H,3-4,6-7,13H2
InChIKeyQGANKIOPXGEDSQ-UHFFFAOYSA-N
XLogP2.24
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrol-2-yl]methanol
CID 116617014
2-[1-(3,3-difluorobutyl)pyrrol-2-yl]ethanamine
CID 84670674
2-[1-(2-methoxyethyl)pyrrol-2-yl]ethanamine
CID 66406663
2-(1-nonylpyrrol-2-yl)ethanamine
CID 66405846
1-[2-(trifluoromethylsulfanyl)ethyl]indol-4-amine
CID 116615863
2-[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]ethanamine
CID 83823084
2-[1-(4-methoxybutyl)pyrrol-2-yl]ethanamine
CID 104649672
2-[1-(2-pyridin-2-ylethyl)pyrrol-2-yl]ethanamine
CID 66404435
2-[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]ethanamine
CID 147131024
2-[1-[2-(3-chlorophenyl)ethyl]pyrrol-2-yl]ethanamine
CID 95459676
N-[1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrol-2-yl]ethyl]propan-1-amine
CID 116617073
2-[1-[(4-iodophenyl)methyl]pyrrol-2-yl]ethanamine
CID 66404442

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrol-2-yl]ethanamine?
The IUPAC name of 2-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrol-2-yl]ethanamine (CID 116618047) is 2-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrol-2-yl]ethanamine.
What is the SMILES notation for 2-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrol-2-yl]ethanamine?
The canonical SMILES for 2-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrol-2-yl]ethanamine is NCCc1cccn1CCSC(F)(F)F.
What is the InChIKey of 2-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrol-2-yl]ethanamine?
The InChIKey is QGANKIOPXGEDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2S/c10-9(11,12)15-7-6-14-5-1-2-8(14)3-4-13/h1-2,5H,3-4,6-7,13H2.
What are the key properties of 2-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrol-2-yl]ethanamine?
2-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrol-2-yl]ethanamine has a molecular weight of 238.28 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrol-2-yl]ethanamine is sourced from PubChem (CID 116618047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).