2,3-dimethyl-5-(trifluoromethyl)-2H-pyrrole

C7H8F3N — CID 138509508

IUPAC2,3-dimethyl-5-(trifluoromethyl)-2H-pyrrole
SMILESCC1=CC(C(F)(F)F)=NC1C
InChIInChI=1S/C7H8F3N/c1-4-3-6(7(8,9)10)11-5(4)2/h3,5H,1-2H3
InChIKeyTUGUJWHJGOCULR-UHFFFAOYSA-N
MW163.14 g/mol
LogP2.34
Rot. Bonds

About 2,3-dimethyl-5-(trifluoromethyl)-2H-pyrrole

2,3-dimethyl-5-(trifluoromethyl)-2H-pyrrole (PubChem CID 138509508) has the molecular formula C7H8F3N and a molecular weight of 163.14 g/mol. Its IUPAC name is 2,3-dimethyl-5-(trifluoromethyl)-2H-pyrrole.

Molecular Properties

Compound Name2,3-dimethyl-5-(trifluoromethyl)-2H-pyrrole
PubChem CID138509508
Molecular FormulaC7H8F3N
Molecular Weight163.14 g/mol
Exact Mass163.06
IUPAC Name2,3-dimethyl-5-(trifluoromethyl)-2H-pyrrole
SMILESCC1=CC(C(F)(F)F)=NC1C
InChIInChI=1S/C7H8F3N/c1-4-3-6(7(8,9)10)11-5(4)2/h3,5H,1-2H3
InChIKeyTUGUJWHJGOCULR-UHFFFAOYSA-N
XLogP2.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-(trifluoromethyl)-2H-pyrrole?
The IUPAC name of 2,3-dimethyl-5-(trifluoromethyl)-2H-pyrrole (CID 138509508) is 2,3-dimethyl-5-(trifluoromethyl)-2H-pyrrole.
What is the SMILES notation for 2,3-dimethyl-5-(trifluoromethyl)-2H-pyrrole?
The canonical SMILES for 2,3-dimethyl-5-(trifluoromethyl)-2H-pyrrole is CC1=CC(C(F)(F)F)=NC1C.
What is the InChIKey of 2,3-dimethyl-5-(trifluoromethyl)-2H-pyrrole?
The InChIKey is TUGUJWHJGOCULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N/c1-4-3-6(7(8,9)10)11-5(4)2/h3,5H,1-2H3.
What are the key properties of 2,3-dimethyl-5-(trifluoromethyl)-2H-pyrrole?
2,3-dimethyl-5-(trifluoromethyl)-2H-pyrrole has a molecular weight of 163.14 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-(trifluoromethyl)-2H-pyrrole is sourced from PubChem (CID 138509508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).