1-(trifluoromethyl)pyrrole

C5H4F3N — CID 18537696

IUPAC1-(trifluoromethyl)pyrrole
SMILESFC(F)(F)n1cccc1
InChIInChI=1S/C5H4F3N/c6-5(7,8)9-3-1-2-4-9/h1-4H
InChIKeyDAFKXAVRCSAZEF-UHFFFAOYSA-N
MW135.09 g/mol
LogP1.96
Rot. Bonds

About 1-(trifluoromethyl)pyrrole

1-(trifluoromethyl)pyrrole (PubChem CID 18537696) has the molecular formula C5H4F3N and a molecular weight of 135.09 g/mol. Its IUPAC name is 1-(trifluoromethyl)pyrrole.

Molecular Properties

Compound Name1-(trifluoromethyl)pyrrole
PubChem CID18537696
Molecular FormulaC5H4F3N
Molecular Weight135.09 g/mol
Exact Mass135.03
IUPAC Name1-(trifluoromethyl)pyrrole
SMILESFC(F)(F)n1cccc1
InChIInChI=1S/C5H4F3N/c6-5(7,8)9-3-1-2-4-9/h1-4H
InChIKeyDAFKXAVRCSAZEF-UHFFFAOYSA-N
XLogP1.96
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.09
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)pyrrole?
The IUPAC name of 1-(trifluoromethyl)pyrrole (CID 18537696) is 1-(trifluoromethyl)pyrrole.
What is the SMILES notation for 1-(trifluoromethyl)pyrrole?
The canonical SMILES for 1-(trifluoromethyl)pyrrole is FC(F)(F)n1cccc1.
What is the InChIKey of 1-(trifluoromethyl)pyrrole?
The InChIKey is DAFKXAVRCSAZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N/c6-5(7,8)9-3-1-2-4-9/h1-4H.
What are the key properties of 1-(trifluoromethyl)pyrrole?
1-(trifluoromethyl)pyrrole has a molecular weight of 135.09 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)pyrrole is sourced from PubChem (CID 18537696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).