5-(4-chlorophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole

C11H9ClF3N — CID 71607948

IUPAC5-(4-chlorophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole
SMILESFC(F)(F)C1CN=C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C11H9ClF3N/c12-9-3-1-7(2-4-9)10-5-8(6-16-10)11(13,14)15/h1-4,8H,5-6H2
InChIKeyBORMYUSDACCORN-UHFFFAOYSA-N
MW247.65 g/mol
LogP3.71
Rot. Bonds1

About 5-(4-chlorophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole

5-(4-chlorophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole (PubChem CID 71607948) has the molecular formula C11H9ClF3N and a molecular weight of 247.65 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole
PubChem CID71607948
Molecular FormulaC11H9ClF3N
Molecular Weight247.65 g/mol
Exact Mass247.04
IUPAC Name5-(4-chlorophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole
SMILESFC(F)(F)C1CN=C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C11H9ClF3N/c12-9-3-1-7(2-4-9)10-5-8(6-16-10)11(13,14)15/h1-4,8H,5-6H2
InChIKeyBORMYUSDACCORN-UHFFFAOYSA-N
XLogP3.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.65
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-(3-Chlorophenyl)-2,3,4,5-tetrahydropyridine
CID 127026744
5-(4-Chlorophenyl)-3,4-dihydro-2H-pyrrole
CID 11019446
3-(4-chlorophenyl)-2-(trifluoromethyl)-2H-azirine
CID 122231187
N-[(1S)-1-(4-chlorophenyl)-2,2,3,3-tetrafluoropent-4-enyl]-1-phenylethanimine
CID 178251667
4,4-Dichloro-5-(4-chlorophenyl)-2,3-dihydropyrrole
CID 11010330
3-(4-chlorophenyl)-2H-azirine
CID 11768757
1-(4-chlorophenyl)-N-methylethanimine
CID 85579388
(1Z)-4-chloro-N-(1-chloro-2,2,2-trifluoroethyl)benzenecarboximidoyl chloride
CID 11208537
Benzenecarboximidoyl chloride, 4-chloro-N-(2,2,2-trifluoroethyl)-
CID 11807271
1-(4-Chlorophenyl)-2,2,2-trifluoroethanimine
CID 12236288
2-(4-chlorophenyl)-5-(2,6-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrrole
CID 12979398
5-(4-chlorophenyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrrole-4-carbonitrile
CID 15191073

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-(4-chlorophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole (CID 71607948) is 5-(4-chlorophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-(4-chlorophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-(4-chlorophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole is FC(F)(F)C1CN=C(c2ccc(Cl)cc2)C1.
What is the InChIKey of 5-(4-chlorophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole?
The InChIKey is BORMYUSDACCORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N/c12-9-3-1-7(2-4-9)10-5-8(6-16-10)11(13,14)15/h1-4,8H,5-6H2.
What are the key properties of 5-(4-chlorophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole?
5-(4-chlorophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole has a molecular weight of 247.65 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 71607948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).