2,3,4-trifluoro-5-methyl-1H-pyrrole

C5H4F3N — CID 58058044

IUPAC2,3,4-trifluoro-5-methyl-1H-pyrrole
SMILESCc1[nH]c(F)c(F)c1F
InChIInChI=1S/C5H4F3N/c1-2-3(6)4(7)5(8)9-2/h9H,1H3
InChIKeyOZSAFPPSPVSOLW-UHFFFAOYSA-N
MW135.09 g/mol
LogP1.74
Rot. Bonds

About 2,3,4-trifluoro-5-methyl-1H-pyrrole

2,3,4-trifluoro-5-methyl-1H-pyrrole (PubChem CID 58058044) has the molecular formula C5H4F3N and a molecular weight of 135.09 g/mol. Its IUPAC name is 2,3,4-trifluoro-5-methyl-1H-pyrrole.

Molecular Properties

Compound Name2,3,4-trifluoro-5-methyl-1H-pyrrole
PubChem CID58058044
Molecular FormulaC5H4F3N
Molecular Weight135.09 g/mol
Exact Mass135.03
IUPAC Name2,3,4-trifluoro-5-methyl-1H-pyrrole
SMILESCc1[nH]c(F)c(F)c1F
InChIInChI=1S/C5H4F3N/c1-2-3(6)4(7)5(8)9-2/h9H,1H3
InChIKeyOZSAFPPSPVSOLW-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-5-methyl-1H-pyrrole?
The IUPAC name of 2,3,4-trifluoro-5-methyl-1H-pyrrole (CID 58058044) is 2,3,4-trifluoro-5-methyl-1H-pyrrole.
What is the SMILES notation for 2,3,4-trifluoro-5-methyl-1H-pyrrole?
The canonical SMILES for 2,3,4-trifluoro-5-methyl-1H-pyrrole is Cc1[nH]c(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-5-methyl-1H-pyrrole?
The InChIKey is OZSAFPPSPVSOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N/c1-2-3(6)4(7)5(8)9-2/h9H,1H3.
What are the key properties of 2,3,4-trifluoro-5-methyl-1H-pyrrole?
2,3,4-trifluoro-5-methyl-1H-pyrrole has a molecular weight of 135.09 g/mol, XLogP of 1.74, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-5-methyl-1H-pyrrole is sourced from PubChem (CID 58058044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).