2-cyclopropyl-4-(trifluoromethyl)-3H-pyrrole

C8H8F3N — CID 148554571

IUPAC2-cyclopropyl-4-(trifluoromethyl)-3H-pyrrole
SMILESFC(F)(F)C1=CN=C(C2CC2)C1
InChIInChI=1S/C8H8F3N/c9-8(10,11)6-3-7(12-4-6)5-1-2-5/h4-5H,1-3H2
InChIKeyMTUQIBMXXTUJEE-UHFFFAOYSA-N
MW175.15 g/mol
LogP2.69
Rot. Bonds1

About 2-cyclopropyl-4-(trifluoromethyl)-3H-pyrrole

2-cyclopropyl-4-(trifluoromethyl)-3H-pyrrole (PubChem CID 148554571) has the molecular formula C8H8F3N and a molecular weight of 175.15 g/mol. Its IUPAC name is 2-cyclopropyl-4-(trifluoromethyl)-3H-pyrrole.

Molecular Properties

Compound Name2-cyclopropyl-4-(trifluoromethyl)-3H-pyrrole
PubChem CID148554571
Molecular FormulaC8H8F3N
Molecular Weight175.15 g/mol
Exact Mass175.06
IUPAC Name2-cyclopropyl-4-(trifluoromethyl)-3H-pyrrole
SMILESFC(F)(F)C1=CN=C(C2CC2)C1
InChIInChI=1S/C8H8F3N/c9-8(10,11)6-3-7(12-4-6)5-1-2-5/h4-5H,1-3H2
InChIKeyMTUQIBMXXTUJEE-UHFFFAOYSA-N
XLogP2.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.15
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Propan-2-yl-5-(trifluoromethyl)-3,4-dihydropyridine
CID 145484033
2,4-Dimethyl-5-(trifluoromethyl)-3,4-dihydropyridine
CID 148775053
5-Propan-2-yl-2-(trifluoromethyl)-3,4-dihydropyridine
CID 148760586
1-cyclopropyl-N-ethyl-2-(trifluoromethyl)prop-2-en-1-imine
CID 162596786
2-cyclopropyl-4-methyl-3H-pyrrole
CID 161133858
4-cyclopropyl-2-methyl-3H-pyrrole
CID 158043817

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(trifluoromethyl)-3H-pyrrole?
The IUPAC name of 2-cyclopropyl-4-(trifluoromethyl)-3H-pyrrole (CID 148554571) is 2-cyclopropyl-4-(trifluoromethyl)-3H-pyrrole.
What is the SMILES notation for 2-cyclopropyl-4-(trifluoromethyl)-3H-pyrrole?
The canonical SMILES for 2-cyclopropyl-4-(trifluoromethyl)-3H-pyrrole is FC(F)(F)C1=CN=C(C2CC2)C1.
What is the InChIKey of 2-cyclopropyl-4-(trifluoromethyl)-3H-pyrrole?
The InChIKey is MTUQIBMXXTUJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N/c9-8(10,11)6-3-7(12-4-6)5-1-2-5/h4-5H,1-3H2.
What are the key properties of 2-cyclopropyl-4-(trifluoromethyl)-3H-pyrrole?
2-cyclopropyl-4-(trifluoromethyl)-3H-pyrrole has a molecular weight of 175.15 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(trifluoromethyl)-3H-pyrrole is sourced from PubChem (CID 148554571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).