3-[5-(trifluoromethyl)thiophen-2-yl]-2,5-dihydro-1H-pyrrole

C9H8F3NS — CID 130949274

IUPAC3-[5-(trifluoromethyl)thiophen-2-yl]-2,5-dihydro-1H-pyrrole
SMILESFC(F)(F)c1ccc(C2=CCNC2)s1
InChIInChI=1S/C9H8F3NS/c10-9(11,12)8-2-1-7(14-8)6-3-4-13-5-6/h1-3,13H,4-5H2
InChIKeyLYBVPQWWALGAMX-UHFFFAOYSA-N
MW219.23 g/mol
LogP2.75
Rot. Bonds1

About 3-[5-(trifluoromethyl)thiophen-2-yl]-2,5-dihydro-1H-pyrrole

3-[5-(trifluoromethyl)thiophen-2-yl]-2,5-dihydro-1H-pyrrole (PubChem CID 130949274) has the molecular formula C9H8F3NS and a molecular weight of 219.23 g/mol. Its IUPAC name is 3-[5-(trifluoromethyl)thiophen-2-yl]-2,5-dihydro-1H-pyrrole.

Molecular Properties

Compound Name3-[5-(trifluoromethyl)thiophen-2-yl]-2,5-dihydro-1H-pyrrole
PubChem CID130949274
Molecular FormulaC9H8F3NS
Molecular Weight219.23 g/mol
Exact Mass219.03
IUPAC Name3-[5-(trifluoromethyl)thiophen-2-yl]-2,5-dihydro-1H-pyrrole
SMILESFC(F)(F)c1ccc(C2=CCNC2)s1
InChIInChI=1S/C9H8F3NS/c10-9(11,12)8-2-1-7(14-8)6-3-4-13-5-6/h1-3,13H,4-5H2
InChIKeyLYBVPQWWALGAMX-UHFFFAOYSA-N
XLogP2.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(trifluoromethyl)thiophen-2-yl]-2,5-dihydro-1H-pyrrole?
The IUPAC name of 3-[5-(trifluoromethyl)thiophen-2-yl]-2,5-dihydro-1H-pyrrole (CID 130949274) is 3-[5-(trifluoromethyl)thiophen-2-yl]-2,5-dihydro-1H-pyrrole.
What is the SMILES notation for 3-[5-(trifluoromethyl)thiophen-2-yl]-2,5-dihydro-1H-pyrrole?
The canonical SMILES for 3-[5-(trifluoromethyl)thiophen-2-yl]-2,5-dihydro-1H-pyrrole is FC(F)(F)c1ccc(C2=CCNC2)s1.
What is the InChIKey of 3-[5-(trifluoromethyl)thiophen-2-yl]-2,5-dihydro-1H-pyrrole?
The InChIKey is LYBVPQWWALGAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NS/c10-9(11,12)8-2-1-7(14-8)6-3-4-13-5-6/h1-3,13H,4-5H2.
What are the key properties of 3-[5-(trifluoromethyl)thiophen-2-yl]-2,5-dihydro-1H-pyrrole?
3-[5-(trifluoromethyl)thiophen-2-yl]-2,5-dihydro-1H-pyrrole has a molecular weight of 219.23 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(trifluoromethyl)thiophen-2-yl]-2,5-dihydro-1H-pyrrole is sourced from PubChem (CID 130949274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).