1-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]-3,3-difluoropyrrolidine

C17H15BrClF2N — CID 171934637

IUPAC1-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]-3,3-difluoropyrrolidine
SMILESFC1(F)CCN(Cc2ccc(-c3cccc(Br)c3Cl)cc2)C1
InChIInChI=1S/C17H15BrClF2N/c18-15-3-1-2-14(16(15)19)13-6-4-12(5-7-13)10-22-9-8-17(20,21)11-22/h1-7H,8-11H2
InChIKeyDMXYNZCYTYIAAC-UHFFFAOYSA-N
MW386.67 g/mol
LogP5.61
Rot. Bonds3

About 1-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]-3,3-difluoropyrrolidine

1-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]-3,3-difluoropyrrolidine (PubChem CID 171934637) has the molecular formula C17H15BrClF2N and a molecular weight of 386.67 g/mol. Its IUPAC name is 1-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]-3,3-difluoropyrrolidine.

Molecular Properties

Compound Name1-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]-3,3-difluoropyrrolidine
PubChem CID171934637
Molecular FormulaC17H15BrClF2N
Molecular Weight386.67 g/mol
Exact Mass385.00
IUPAC Name1-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]-3,3-difluoropyrrolidine
SMILESFC1(F)CCN(Cc2ccc(-c3cccc(Br)c3Cl)cc2)C1
InChIInChI=1S/C17H15BrClF2N/c18-15-3-1-2-14(16(15)19)13-6-4-12(5-7-13)10-22-9-8-17(20,21)11-22/h1-7H,8-11H2
InChIKeyDMXYNZCYTYIAAC-UHFFFAOYSA-N
XLogP5.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.67
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]-3,3-difluoropyrrolidine 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

6-Bromo-4-chloro-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroisoindole
CID 151278709
N-[[3-[(E)-2-(3-bromo-2-chlorophenyl)ethenyl]-4-(trifluoromethyl)phenyl]methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 166519033
N-[[3-[2-(3-bromo-2-chlorophenyl)ethenyl]-4-(trifluoromethyl)phenyl]methyl]-1-pyrrolidin-2-ylmethanamine
CID 175805052
1-(3-bromo-4-fluorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 63457147
N-[(3-bromo-4-fluorophenyl)methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 63459012
N-[(3-bromo-5-fluorophenyl)methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 79705622
N-[(3-bromo-5-fluorophenyl)methyl]-1-(2-chlorophenyl)-N-methylmethanamine
CID 79706084
N-[(3-bromo-4-chlorophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 83232933
N-[(3-bromo-2-chlorophenyl)-(2,5-difluorophenyl)methyl]propan-1-amine
CID 104357095
N-[(3-bromo-2-chlorophenyl)-(2,4-difluorophenyl)methyl]propan-1-amine
CID 104357097
N-[(3-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methyl]propan-1-amine
CID 104357098
1-(3-bromo-2-chlorophenyl)-1-(2,5-difluoro-4-methylphenyl)-N-methylmethanamine
CID 104357215

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]-3,3-difluoropyrrolidine?
The IUPAC name of 1-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]-3,3-difluoropyrrolidine (CID 171934637) is 1-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]-3,3-difluoropyrrolidine.
What is the SMILES notation for 1-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]-3,3-difluoropyrrolidine?
The canonical SMILES for 1-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]-3,3-difluoropyrrolidine is FC1(F)CCN(Cc2ccc(-c3cccc(Br)c3Cl)cc2)C1.
What is the InChIKey of 1-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]-3,3-difluoropyrrolidine?
The InChIKey is DMXYNZCYTYIAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClF2N/c18-15-3-1-2-14(16(15)19)13-6-4-12(5-7-13)10-22-9-8-17(20,21)11-22/h1-7H,8-11H2.
What are the key properties of 1-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]-3,3-difluoropyrrolidine?
1-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]-3,3-difluoropyrrolidine has a molecular weight of 386.67 g/mol, XLogP of 5.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]-3,3-difluoropyrrolidine is sourced from PubChem (CID 171934637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).