5-(trifluoromethyl)-2H-pyrrole

C5H4F3N — CID 58924994

IUPAC5-(trifluoromethyl)-2H-pyrrole
SMILESC1C=CC(=N1)C(F)(F)F
InChIInChI=1S/C5H4F3N/c6-5(7,8)4-2-1-3-9-4/h1-2H,3H2
InChIKeyDTDQRUDTJQGIIZ-UHFFFAOYSA-N
MW135.09 g/mol
LogP1.30
Rot. Bonds

About 5-(trifluoromethyl)-2H-pyrrole

5-(trifluoromethyl)-2H-pyrrole (PubChem CID 58924994) has the molecular formula C5H4F3N and a molecular weight of 135.09 g/mol. Its IUPAC name is 5-(trifluoromethyl)-2H-pyrrole.

Molecular Properties

Compound Name5-(trifluoromethyl)-2H-pyrrole
PubChem CID58924994
Molecular FormulaC5H4F3N
Molecular Weight135.09 g/mol
Exact Mass135.03
IUPAC Name5-(trifluoromethyl)-2H-pyrrole
SMILESC1C=CC(=N1)C(F)(F)F
InChIInChI=1S/C5H4F3N/c6-5(7,8)4-2-1-3-9-4/h1-2H,3H2
InChIKeyDTDQRUDTJQGIIZ-UHFFFAOYSA-N
XLogP1.30
TPSA12.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity166

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.09
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-2H-pyrrole?
The IUPAC name of 5-(trifluoromethyl)-2H-pyrrole (CID 58924994) is 5-(trifluoromethyl)-2H-pyrrole.
What is the SMILES notation for 5-(trifluoromethyl)-2H-pyrrole?
The canonical SMILES for 5-(trifluoromethyl)-2H-pyrrole is C1C=CC(=N1)C(F)(F)F.
What is the InChIKey of 5-(trifluoromethyl)-2H-pyrrole?
The InChIKey is DTDQRUDTJQGIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N/c6-5(7,8)4-2-1-3-9-4/h1-2H,3H2.
What are the key properties of 5-(trifluoromethyl)-2H-pyrrole?
5-(trifluoromethyl)-2H-pyrrole has a molecular weight of 135.09 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-2H-pyrrole is sourced from PubChem (CID 58924994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).