3-(4-chlorophenyl)-1-(2,2,2-trifluoroethyl)pyrrole

C12H9ClF3N — CID 141202332

IUPAC3-(4-chlorophenyl)-1-(2,2,2-trifluoroethyl)pyrrole
SMILESFC(F)(F)Cn1ccc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C12H9ClF3N/c13-11-3-1-9(2-4-11)10-5-6-17(7-10)8-12(14,15)16/h1-7H,8H2
InChIKeyFPRMKFONGJOSPE-UHFFFAOYSA-N
MW259.66 g/mol
LogP4.37
Rot. Bonds2

About 3-(4-chlorophenyl)-1-(2,2,2-trifluoroethyl)pyrrole

3-(4-chlorophenyl)-1-(2,2,2-trifluoroethyl)pyrrole (PubChem CID 141202332) has the molecular formula C12H9ClF3N and a molecular weight of 259.66 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(2,2,2-trifluoroethyl)pyrrole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(2,2,2-trifluoroethyl)pyrrole
PubChem CID141202332
Molecular FormulaC12H9ClF3N
Molecular Weight259.66 g/mol
Exact Mass259.04
IUPAC Name3-(4-chlorophenyl)-1-(2,2,2-trifluoroethyl)pyrrole
SMILESFC(F)(F)Cn1ccc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C12H9ClF3N/c13-11-3-1-9(2-4-11)10-5-6-17(7-10)8-12(14,15)16/h1-7H,8H2
InChIKeyFPRMKFONGJOSPE-UHFFFAOYSA-N
XLogP4.37
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.66
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-(2,2,2-trifluoroethyl)pyrrole?
The IUPAC name of 3-(4-chlorophenyl)-1-(2,2,2-trifluoroethyl)pyrrole (CID 141202332) is 3-(4-chlorophenyl)-1-(2,2,2-trifluoroethyl)pyrrole.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(2,2,2-trifluoroethyl)pyrrole?
The canonical SMILES for 3-(4-chlorophenyl)-1-(2,2,2-trifluoroethyl)pyrrole is FC(F)(F)Cn1ccc(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 3-(4-chlorophenyl)-1-(2,2,2-trifluoroethyl)pyrrole?
The InChIKey is FPRMKFONGJOSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3N/c13-11-3-1-9(2-4-11)10-5-6-17(7-10)8-12(14,15)16/h1-7H,8H2.
What are the key properties of 3-(4-chlorophenyl)-1-(2,2,2-trifluoroethyl)pyrrole?
3-(4-chlorophenyl)-1-(2,2,2-trifluoroethyl)pyrrole has a molecular weight of 259.66 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-(2,2,2-trifluoroethyl)pyrrole is sourced from PubChem (CID 141202332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).