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

C11H11BrClF2N — CID 162786549

IUPAC1-[(3-bromo-2-chlorophenyl)methyl]-3,3-difluoropyrrolidine
SMILESFC1(F)CCN(Cc2cccc(Br)c2Cl)C1
InChIInChI=1S/C11H11BrClF2N/c12-9-3-1-2-8(10(9)13)6-16-5-4-11(14,15)7-16/h1-3H,4-7H2
InChIKeyZUNRTBZFGCPZIB-UHFFFAOYSA-N
MW310.57 g/mol
LogP3.94
Rot. Bonds2

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

1-[(3-bromo-2-chlorophenyl)methyl]-3,3-difluoropyrrolidine (PubChem CID 162786549) has the molecular formula C11H11BrClF2N and a molecular weight of 310.57 g/mol. Its IUPAC name is 1-[(3-bromo-2-chlorophenyl)methyl]-3,3-difluoropyrrolidine.

Molecular Properties

Compound Name1-[(3-bromo-2-chlorophenyl)methyl]-3,3-difluoropyrrolidine
PubChem CID162786549
Molecular FormulaC11H11BrClF2N
Molecular Weight310.57 g/mol
Exact Mass308.97
IUPAC Name1-[(3-bromo-2-chlorophenyl)methyl]-3,3-difluoropyrrolidine
SMILESFC1(F)CCN(Cc2cccc(Br)c2Cl)C1
InChIInChI=1S/C11H11BrClF2N/c12-9-3-1-2-8(10(9)13)6-16-5-4-11(14,15)7-16/h1-3H,4-7H2
InChIKeyZUNRTBZFGCPZIB-UHFFFAOYSA-N
XLogP3.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.57
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[(3-bromo-2-chlorophenyl)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

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-2-chlorophenyl)methyl]-3,3-difluoropyrrolidine?
The IUPAC name of 1-[(3-bromo-2-chlorophenyl)methyl]-3,3-difluoropyrrolidine (CID 162786549) is 1-[(3-bromo-2-chlorophenyl)methyl]-3,3-difluoropyrrolidine.
What is the SMILES notation for 1-[(3-bromo-2-chlorophenyl)methyl]-3,3-difluoropyrrolidine?
The canonical SMILES for 1-[(3-bromo-2-chlorophenyl)methyl]-3,3-difluoropyrrolidine is FC1(F)CCN(Cc2cccc(Br)c2Cl)C1.
What is the InChIKey of 1-[(3-bromo-2-chlorophenyl)methyl]-3,3-difluoropyrrolidine?
The InChIKey is ZUNRTBZFGCPZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClF2N/c12-9-3-1-2-8(10(9)13)6-16-5-4-11(14,15)7-16/h1-3H,4-7H2.
What are the key properties of 1-[(3-bromo-2-chlorophenyl)methyl]-3,3-difluoropyrrolidine?
1-[(3-bromo-2-chlorophenyl)methyl]-3,3-difluoropyrrolidine has a molecular weight of 310.57 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-2-chlorophenyl)methyl]-3,3-difluoropyrrolidine is sourced from PubChem (CID 162786549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).