2-(3-bromophenyl)-3-fluoro-2-methylpyrrolidine;hydrochloride

C11H14BrClFN — CID 115053306

IUPAC2-(3-bromophenyl)-3-fluoro-2-methylpyrrolidine;hydrochloride
SMILESCC1(c2cccc(Br)c2)NCCC1F.Cl
InChIInChI=1S/C11H13BrFN.ClH/c1-11(10(13)5-6-14-11)8-3-2-4-9(12)7-8;/h2-4,7,10,14H,5-6H2,1H3;1H
InChIKeyCKDFKNGMFZRLSB-UHFFFAOYSA-N
MW294.60 g/mol
LogP3.42
Rot. Bonds1

About 2-(3-bromophenyl)-3-fluoro-2-methylpyrrolidine;hydrochloride

2-(3-bromophenyl)-3-fluoro-2-methylpyrrolidine;hydrochloride (PubChem CID 115053306) has the molecular formula C11H14BrClFN and a molecular weight of 294.60 g/mol. Its IUPAC name is 2-(3-bromophenyl)-3-fluoro-2-methylpyrrolidine;hydrochloride.

Molecular Properties

Compound Name2-(3-bromophenyl)-3-fluoro-2-methylpyrrolidine;hydrochloride
PubChem CID115053306
Molecular FormulaC11H14BrClFN
Molecular Weight294.60 g/mol
Exact Mass293.00
IUPAC Name2-(3-bromophenyl)-3-fluoro-2-methylpyrrolidine;hydrochloride
SMILESCC1(c2cccc(Br)c2)NCCC1F.Cl
InChIInChI=1S/C11H13BrFN.ClH/c1-11(10(13)5-6-14-11)8-3-2-4-9(12)7-8;/h2-4,7,10,14H,5-6H2,1H3;1H
InChIKeyCKDFKNGMFZRLSB-UHFFFAOYSA-N
XLogP3.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.60
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(3-bromophenyl)-3-fluoro-2-methylpyrrolidine;hydrochloride 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

3-fluoro-2-methyl-2-(3-methylphenyl)pyrrolidine;hydrochloride
CID 115037533
2-(3-bromophenyl)-2-methylpyrrolidin-3-ol
CID 115047690
2-(3-bromophenyl)-2-methylpiperidin-3-ol;hydrochloride
CID 115054403
2-(3-bromophenyl)-4-fluoro-2-methylpiperidine
CID 115050602
4-(3-fluoro-2-methylpyrrolidin-2-yl)phenol;hydrochloride
CID 115038604
2-(4-chlorophenyl)-3-fluoro-2-methylpyrrolidine
CID 115028533
(3R)-3-(3-bromophenyl)-3-methylmorpholine
CID 96926768
2-(3-bromophenyl)-2-methylpiperidin-3-one;hydrochloride
CID 115053488
4-(3-fluoro-2-methylpiperidin-2-yl)phenol;hydrochloride
CID 115045704
1-bromo-3-(1,3-dimethylcyclobutyl)benzene
CID 169179342
4-(3-bromophenyl)-2,2-dimethylpiperidine
CID 117258218
2-(3-bromophenyl)-2,5-dimethyl-1,3-oxazolidine
CID 117229092

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-3-fluoro-2-methylpyrrolidine;hydrochloride?
The IUPAC name of 2-(3-bromophenyl)-3-fluoro-2-methylpyrrolidine;hydrochloride (CID 115053306) is 2-(3-bromophenyl)-3-fluoro-2-methylpyrrolidine;hydrochloride.
What is the SMILES notation for 2-(3-bromophenyl)-3-fluoro-2-methylpyrrolidine;hydrochloride?
The canonical SMILES for 2-(3-bromophenyl)-3-fluoro-2-methylpyrrolidine;hydrochloride is CC1(c2cccc(Br)c2)NCCC1F.Cl.
What is the InChIKey of 2-(3-bromophenyl)-3-fluoro-2-methylpyrrolidine;hydrochloride?
The InChIKey is CKDFKNGMFZRLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFN.ClH/c1-11(10(13)5-6-14-11)8-3-2-4-9(12)7-8;/h2-4,7,10,14H,5-6H2,1H3;1H.
What are the key properties of 2-(3-bromophenyl)-3-fluoro-2-methylpyrrolidine;hydrochloride?
2-(3-bromophenyl)-3-fluoro-2-methylpyrrolidine;hydrochloride has a molecular weight of 294.60 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-3-fluoro-2-methylpyrrolidine;hydrochloride is sourced from PubChem (CID 115053306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).