2-ethyl-5-(trifluoromethyl)-2H-pyrrole

C7H8F3N — CID 147036435

IUPAC2-ethyl-5-(trifluoromethyl)-2H-pyrrole
SMILESCCC1C=CC(C(F)(F)F)=N1
InChIInChI=1S/C7H8F3N/c1-2-5-3-4-6(11-5)7(8,9)10/h3-5H,2H2,1H3
InChIKeyAYPAXKXAZXPFSV-UHFFFAOYSA-N
MW163.14 g/mol
LogP2.34
Rot. Bonds1

About 2-ethyl-5-(trifluoromethyl)-2H-pyrrole

2-ethyl-5-(trifluoromethyl)-2H-pyrrole (PubChem CID 147036435) has the molecular formula C7H8F3N and a molecular weight of 163.14 g/mol. Its IUPAC name is 2-ethyl-5-(trifluoromethyl)-2H-pyrrole.

Molecular Properties

Compound Name2-ethyl-5-(trifluoromethyl)-2H-pyrrole
PubChem CID147036435
Molecular FormulaC7H8F3N
Molecular Weight163.14 g/mol
Exact Mass163.06
IUPAC Name2-ethyl-5-(trifluoromethyl)-2H-pyrrole
SMILESCCC1C=CC(C(F)(F)F)=N1
InChIInChI=1S/C7H8F3N/c1-2-5-3-4-6(11-5)7(8,9)10/h3-5H,2H2,1H3
InChIKeyAYPAXKXAZXPFSV-UHFFFAOYSA-N
XLogP2.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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-ethyl-5-(trifluoromethyl)-2H-pyrrole?
The IUPAC name of 2-ethyl-5-(trifluoromethyl)-2H-pyrrole (CID 147036435) is 2-ethyl-5-(trifluoromethyl)-2H-pyrrole.
What is the SMILES notation for 2-ethyl-5-(trifluoromethyl)-2H-pyrrole?
The canonical SMILES for 2-ethyl-5-(trifluoromethyl)-2H-pyrrole is CCC1C=CC(C(F)(F)F)=N1.
What is the InChIKey of 2-ethyl-5-(trifluoromethyl)-2H-pyrrole?
The InChIKey is AYPAXKXAZXPFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N/c1-2-5-3-4-6(11-5)7(8,9)10/h3-5H,2H2,1H3.
What are the key properties of 2-ethyl-5-(trifluoromethyl)-2H-pyrrole?
2-ethyl-5-(trifluoromethyl)-2H-pyrrole has a molecular weight of 163.14 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(trifluoromethyl)-2H-pyrrole is sourced from PubChem (CID 147036435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).