1-[4-(bromomethyl)-2,6-difluorophenyl]pyrrolidine

C11H12BrF2N — CID 107078854

IUPAC1-[4-(bromomethyl)-2,6-difluorophenyl]pyrrolidine
SMILESFc1cc(CBr)cc(F)c1N1CCCC1
InChIInChI=1S/C11H12BrF2N/c12-7-8-5-9(13)11(10(14)6-8)15-3-1-2-4-15/h5-6H,1-4,7H2
InChIKeyMPLSOHOZULBZCY-UHFFFAOYSA-N
MW276.12 g/mol
LogP3.46
Rot. Bonds2

About 1-[4-(bromomethyl)-2,6-difluorophenyl]pyrrolidine

1-[4-(bromomethyl)-2,6-difluorophenyl]pyrrolidine (PubChem CID 107078854) has the molecular formula C11H12BrF2N and a molecular weight of 276.12 g/mol. Its IUPAC name is 1-[4-(bromomethyl)-2,6-difluorophenyl]pyrrolidine.

Molecular Properties

Compound Name1-[4-(bromomethyl)-2,6-difluorophenyl]pyrrolidine
PubChem CID107078854
Molecular FormulaC11H12BrF2N
Molecular Weight276.12 g/mol
Exact Mass275.01
IUPAC Name1-[4-(bromomethyl)-2,6-difluorophenyl]pyrrolidine
SMILESFc1cc(CBr)cc(F)c1N1CCCC1
InChIInChI=1S/C11H12BrF2N/c12-7-8-5-9(13)11(10(14)6-8)15-3-1-2-4-15/h5-6H,1-4,7H2
InChIKeyMPLSOHOZULBZCY-UHFFFAOYSA-N
XLogP3.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-[4-(bromomethyl)-2,6-difluorophenyl]pyrrolidine 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

1-[4-(bromomethyl)-2,6-difluorophenyl]-4-methylazepane
CID 107083576
1-[4-(bromomethyl)-2,6-difluorophenyl]-4,4-diethylpiperidine
CID 107083250
1-[4-(bromomethyl)-2,6-difluorophenyl]-4-ethylazepane
CID 107083954
1-[4-(bromomethyl)-2,6-difluorophenyl]-3-pyrrolidin-1-ylpyrrolidine
CID 107083312
1-[4-(bromomethyl)-2,6-difluorophenyl]-4-propylazepane
CID 107083971
1-[4-(bromomethyl)-2,6-difluorophenyl]-4-propan-2-ylpiperidine
CID 107085562
1-[1-[4-(bromomethyl)-2,6-difluorophenyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 107081713
1-[4-(bromomethyl)-2,6-difluorophenyl]-3,3-dimethylpyrrolidine
CID 107084575
1-(4-chloro-2,6-difluorophenyl)pyrrolidine
CID 168512042
1-[4-(bromomethyl)-2,6-difluorophenyl]-2-ethylpiperidine
CID 107079893
3-bromo-5-fluoro-4-pyrrolidin-1-ylaniline
CID 84709742
3-bromo-5-fluoro-4-piperidin-1-ylaniline
CID 84713585

Frequently Asked Questions

What is the IUPAC name of 1-[4-(bromomethyl)-2,6-difluorophenyl]pyrrolidine?
The IUPAC name of 1-[4-(bromomethyl)-2,6-difluorophenyl]pyrrolidine (CID 107078854) is 1-[4-(bromomethyl)-2,6-difluorophenyl]pyrrolidine.
What is the SMILES notation for 1-[4-(bromomethyl)-2,6-difluorophenyl]pyrrolidine?
The canonical SMILES for 1-[4-(bromomethyl)-2,6-difluorophenyl]pyrrolidine is Fc1cc(CBr)cc(F)c1N1CCCC1.
What is the InChIKey of 1-[4-(bromomethyl)-2,6-difluorophenyl]pyrrolidine?
The InChIKey is MPLSOHOZULBZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF2N/c12-7-8-5-9(13)11(10(14)6-8)15-3-1-2-4-15/h5-6H,1-4,7H2.
What are the key properties of 1-[4-(bromomethyl)-2,6-difluorophenyl]pyrrolidine?
1-[4-(bromomethyl)-2,6-difluorophenyl]pyrrolidine has a molecular weight of 276.12 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(bromomethyl)-2,6-difluorophenyl]pyrrolidine is sourced from PubChem (CID 107078854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).