3-ethyl-4-(trifluoromethyl)-1H-pyrrole

C7H8F3N — CID 14238364

IUPAC3-ethyl-4-(trifluoromethyl)-1H-pyrrole
SMILESCCc1c[nH]cc1C(F)(F)F
InChIInChI=1S/C7H8F3N/c1-2-5-3-11-4-6(5)7(8,9)10/h3-4,11H,2H2,1H3
InChIKeyCABYQZKQVPWHMQ-UHFFFAOYSA-N
MW163.14 g/mol
LogP2.60
Rot. Bonds1

About 3-ethyl-4-(trifluoromethyl)-1H-pyrrole

3-ethyl-4-(trifluoromethyl)-1H-pyrrole (PubChem CID 14238364) has the molecular formula C7H8F3N and a molecular weight of 163.14 g/mol. Its IUPAC name is 3-ethyl-4-(trifluoromethyl)-1H-pyrrole.

Molecular Properties

Compound Name3-ethyl-4-(trifluoromethyl)-1H-pyrrole
PubChem CID14238364
Molecular FormulaC7H8F3N
Molecular Weight163.14 g/mol
Exact Mass163.06
IUPAC Name3-ethyl-4-(trifluoromethyl)-1H-pyrrole
SMILESCCc1c[nH]cc1C(F)(F)F
InChIInChI=1S/C7H8F3N/c1-2-5-3-11-4-6(5)7(8,9)10/h3-4,11H,2H2,1H3
InChIKeyCABYQZKQVPWHMQ-UHFFFAOYSA-N
XLogP2.60
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(trifluoromethyl)-1H-pyrrole?
The IUPAC name of 3-ethyl-4-(trifluoromethyl)-1H-pyrrole (CID 14238364) is 3-ethyl-4-(trifluoromethyl)-1H-pyrrole.
What is the SMILES notation for 3-ethyl-4-(trifluoromethyl)-1H-pyrrole?
The canonical SMILES for 3-ethyl-4-(trifluoromethyl)-1H-pyrrole is CCc1c[nH]cc1C(F)(F)F.
What is the InChIKey of 3-ethyl-4-(trifluoromethyl)-1H-pyrrole?
The InChIKey is CABYQZKQVPWHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N/c1-2-5-3-11-4-6(5)7(8,9)10/h3-4,11H,2H2,1H3.
What are the key properties of 3-ethyl-4-(trifluoromethyl)-1H-pyrrole?
3-ethyl-4-(trifluoromethyl)-1H-pyrrole has a molecular weight of 163.14 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(trifluoromethyl)-1H-pyrrole is sourced from PubChem (CID 14238364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).