3-(trifluoromethyl)-1H-pyrrole

C5H4F3N — CID 10464390

IUPAC3-(trifluoromethyl)-1H-pyrrole
SMILESFC(F)(F)c1cc[nH]c1
InChIInChI=1S/C5H4F3N/c6-5(7,8)4-1-2-9-3-4/h1-3,9H
InChIKeyBOMVFZYVIGUOEV-UHFFFAOYSA-N
MW135.09 g/mol
LogP2.03
Rot. Bonds

About 3-(trifluoromethyl)-1H-pyrrole

3-(trifluoromethyl)-1H-pyrrole (PubChem CID 10464390) has the molecular formula C5H4F3N and a molecular weight of 135.09 g/mol. Its IUPAC name is 3-(trifluoromethyl)-1H-pyrrole.

Molecular Properties

Compound Name3-(trifluoromethyl)-1H-pyrrole
PubChem CID10464390
Molecular FormulaC5H4F3N
Molecular Weight135.09 g/mol
Exact Mass135.03
IUPAC Name3-(trifluoromethyl)-1H-pyrrole
SMILESFC(F)(F)c1cc[nH]c1
InChIInChI=1S/C5H4F3N/c6-5(7,8)4-1-2-9-3-4/h1-3,9H
InChIKeyBOMVFZYVIGUOEV-UHFFFAOYSA-N
XLogP2.03
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.09
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-1H-pyrrole?
The IUPAC name of 3-(trifluoromethyl)-1H-pyrrole (CID 10464390) is 3-(trifluoromethyl)-1H-pyrrole.
What is the SMILES notation for 3-(trifluoromethyl)-1H-pyrrole?
The canonical SMILES for 3-(trifluoromethyl)-1H-pyrrole is FC(F)(F)c1cc[nH]c1.
What is the InChIKey of 3-(trifluoromethyl)-1H-pyrrole?
The InChIKey is BOMVFZYVIGUOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N/c6-5(7,8)4-1-2-9-3-4/h1-3,9H.
What are the key properties of 3-(trifluoromethyl)-1H-pyrrole?
3-(trifluoromethyl)-1H-pyrrole has a molecular weight of 135.09 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-1H-pyrrole is sourced from PubChem (CID 10464390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).