5-(2-chlorophenyl)-2-[4-fluoro-3-(fluoromethyl)phenyl]-3,4-dihydro-2H-pyrrole

C17H14ClF2N — CID 142175421

IUPAC5-(2-chlorophenyl)-2-[4-fluoro-3-(fluoromethyl)phenyl]-3,4-dihydro-2H-pyrrole
SMILESFCc1cc(C2CCC(c3ccccc3Cl)=N2)ccc1F
InChIInChI=1S/C17H14ClF2N/c18-14-4-2-1-3-13(14)17-8-7-16(21-17)11-5-6-15(20)12(9-11)10-19/h1-6,9,16H,7-8,10H2
InChIKeyMDVGGXJYYKOBFF-UHFFFAOYSA-N
MW305.76 g/mol
LogP5.27
Rot. Bonds3

About 5-(2-chlorophenyl)-2-[4-fluoro-3-(fluoromethyl)phenyl]-3,4-dihydro-2H-pyrrole

5-(2-chlorophenyl)-2-[4-fluoro-3-(fluoromethyl)phenyl]-3,4-dihydro-2H-pyrrole (PubChem CID 142175421) has the molecular formula C17H14ClF2N and a molecular weight of 305.76 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-2-[4-fluoro-3-(fluoromethyl)phenyl]-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-(2-chlorophenyl)-2-[4-fluoro-3-(fluoromethyl)phenyl]-3,4-dihydro-2H-pyrrole
PubChem CID142175421
Molecular FormulaC17H14ClF2N
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name5-(2-chlorophenyl)-2-[4-fluoro-3-(fluoromethyl)phenyl]-3,4-dihydro-2H-pyrrole
SMILESFCc1cc(C2CCC(c3ccccc3Cl)=N2)ccc1F
InChIInChI=1S/C17H14ClF2N/c18-14-4-2-1-3-13(14)17-8-7-16(21-17)11-5-6-15(20)12(9-11)10-19/h1-6,9,16H,7-8,10H2
InChIKeyMDVGGXJYYKOBFF-UHFFFAOYSA-N
XLogP5.27
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.76
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-(2-chlorophenyl)-2-[4-fluoro-3-(fluoromethyl)phenyl]-3,4-dihydro-2H-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 5-(2-chlorophenyl)-2-[4-fluoro-3-(fluoromethyl)phenyl]-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-(2-chlorophenyl)-2-[4-fluoro-3-(fluoromethyl)phenyl]-3,4-dihydro-2H-pyrrole (CID 142175421) is 5-(2-chlorophenyl)-2-[4-fluoro-3-(fluoromethyl)phenyl]-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-(2-chlorophenyl)-2-[4-fluoro-3-(fluoromethyl)phenyl]-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-(2-chlorophenyl)-2-[4-fluoro-3-(fluoromethyl)phenyl]-3,4-dihydro-2H-pyrrole is FCc1cc(C2CCC(c3ccccc3Cl)=N2)ccc1F.
What is the InChIKey of 5-(2-chlorophenyl)-2-[4-fluoro-3-(fluoromethyl)phenyl]-3,4-dihydro-2H-pyrrole?
The InChIKey is MDVGGXJYYKOBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2N/c18-14-4-2-1-3-13(14)17-8-7-16(21-17)11-5-6-15(20)12(9-11)10-19/h1-6,9,16H,7-8,10H2.
What are the key properties of 5-(2-chlorophenyl)-2-[4-fluoro-3-(fluoromethyl)phenyl]-3,4-dihydro-2H-pyrrole?
5-(2-chlorophenyl)-2-[4-fluoro-3-(fluoromethyl)phenyl]-3,4-dihydro-2H-pyrrole has a molecular weight of 305.76 g/mol, XLogP of 5.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-2-[4-fluoro-3-(fluoromethyl)phenyl]-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 142175421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).