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

C10H14F3N — CID 67809160

IUPAC3-pentyl-4-(trifluoromethyl)-1H-pyrrole
SMILESCCCCCc1c[nH]cc1C(F)(F)F
InChIInChI=1S/C10H14F3N/c1-2-3-4-5-8-6-14-7-9(8)10(11,12)13/h6-7,14H,2-5H2,1H3
InChIKeyRALFWGRDXKTIEU-UHFFFAOYSA-N
MW205.22 g/mol
LogP3.77
Rot. Bonds4

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

3-pentyl-4-(trifluoromethyl)-1H-pyrrole (PubChem CID 67809160) has the molecular formula C10H14F3N and a molecular weight of 205.22 g/mol. Its IUPAC name is 3-pentyl-4-(trifluoromethyl)-1H-pyrrole.

Molecular Properties

Compound Name3-pentyl-4-(trifluoromethyl)-1H-pyrrole
PubChem CID67809160
Molecular FormulaC10H14F3N
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC Name3-pentyl-4-(trifluoromethyl)-1H-pyrrole
SMILESCCCCCc1c[nH]cc1C(F)(F)F
InChIInChI=1S/C10H14F3N/c1-2-3-4-5-8-6-14-7-9(8)10(11,12)13/h6-7,14H,2-5H2,1H3
InChIKeyRALFWGRDXKTIEU-UHFFFAOYSA-N
XLogP3.77
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-pentyl-4-(trifluoromethyl)-1H-pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-pentyl-4-(trifluoromethyl)-1H-pyrrole?
The IUPAC name of 3-pentyl-4-(trifluoromethyl)-1H-pyrrole (CID 67809160) is 3-pentyl-4-(trifluoromethyl)-1H-pyrrole.
What is the SMILES notation for 3-pentyl-4-(trifluoromethyl)-1H-pyrrole?
The canonical SMILES for 3-pentyl-4-(trifluoromethyl)-1H-pyrrole is CCCCCc1c[nH]cc1C(F)(F)F.
What is the InChIKey of 3-pentyl-4-(trifluoromethyl)-1H-pyrrole?
The InChIKey is RALFWGRDXKTIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N/c1-2-3-4-5-8-6-14-7-9(8)10(11,12)13/h6-7,14H,2-5H2,1H3.
What are the key properties of 3-pentyl-4-(trifluoromethyl)-1H-pyrrole?
3-pentyl-4-(trifluoromethyl)-1H-pyrrole has a molecular weight of 205.22 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentyl-4-(trifluoromethyl)-1H-pyrrole is sourced from PubChem (CID 67809160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).