1-cyclopropyl-3-(trifluoromethyl)pyrrole

C8H8F3N — CID 147096807

IUPAC1-cyclopropyl-3-(trifluoromethyl)pyrrole
SMILESFC(F)(F)c1ccn(C2CC2)c1
InChIInChI=1S/C8H8F3N/c9-8(10,11)6-3-4-12(5-6)7-1-2-7/h3-5,7H,1-2H2
InChIKeyBJWQNCKZRMXYMH-UHFFFAOYSA-N
MW175.15 g/mol
LogP2.84
Rot. Bonds1

About 1-cyclopropyl-3-(trifluoromethyl)pyrrole

1-cyclopropyl-3-(trifluoromethyl)pyrrole (PubChem CID 147096807) has the molecular formula C8H8F3N and a molecular weight of 175.15 g/mol. Its IUPAC name is 1-cyclopropyl-3-(trifluoromethyl)pyrrole.

Molecular Properties

Compound Name1-cyclopropyl-3-(trifluoromethyl)pyrrole
PubChem CID147096807
Molecular FormulaC8H8F3N
Molecular Weight175.15 g/mol
Exact Mass175.06
IUPAC Name1-cyclopropyl-3-(trifluoromethyl)pyrrole
SMILESFC(F)(F)c1ccn(C2CC2)c1
InChIInChI=1S/C8H8F3N/c9-8(10,11)6-3-4-12(5-6)7-1-2-7/h3-5,7H,1-2H2
InChIKeyBJWQNCKZRMXYMH-UHFFFAOYSA-N
XLogP2.84
TPSA4.93 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 ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-cyclopropyl-3-(trifluoromethyl)pyrrole with MolForge

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

Launch Full Analysis

Related Compounds

1-chloro-3-(trifluoromethyl)pyrrole
CID 174865922
7-[3-(trifluoromethyl)phenyl]-7-azabicyclo[2.2.1]heptane
CID 123494904
1-cyclopropyl-3-(trifluoromethyl)indole
CID 130220200
2-cyclopropyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 121206446
1-cyclobutyl-4-(trifluoromethyl)imidazole
CID 176717540
2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 117016861
3-(bromomethyl)-4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 115399233
4-[4-(trifluoromethyl)phenyl]-4-azatetracyclo[5.3.2.02,6.08,10]dodecane-3,5-dione
CID 68545814
3-amino-1-cyclohexylpyridin-4-one
CID 165482212
(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 63763280
N-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine
CID 79643708
8-[5-(trifluoromethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octane;hydrochloride
CID 67234325

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(trifluoromethyl)pyrrole?
The IUPAC name of 1-cyclopropyl-3-(trifluoromethyl)pyrrole (CID 147096807) is 1-cyclopropyl-3-(trifluoromethyl)pyrrole.
What is the SMILES notation for 1-cyclopropyl-3-(trifluoromethyl)pyrrole?
The canonical SMILES for 1-cyclopropyl-3-(trifluoromethyl)pyrrole is FC(F)(F)c1ccn(C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-3-(trifluoromethyl)pyrrole?
The InChIKey is BJWQNCKZRMXYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N/c9-8(10,11)6-3-4-12(5-6)7-1-2-7/h3-5,7H,1-2H2.
What are the key properties of 1-cyclopropyl-3-(trifluoromethyl)pyrrole?
1-cyclopropyl-3-(trifluoromethyl)pyrrole has a molecular weight of 175.15 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(trifluoromethyl)pyrrole is sourced from PubChem (CID 147096807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).