1-(2-bromo-4-fluoro-6-methylphenyl)pyrrolidine

C11H13BrFN — CID 168511964

IUPAC1-(2-bromo-4-fluoro-6-methylphenyl)pyrrolidine
SMILESCc1cc(F)cc(Br)c1N1CCCC1
InChIInChI=1S/C11H13BrFN/c1-8-6-9(13)7-10(12)11(8)14-4-2-3-5-14/h6-7H,2-5H2,1H3
InChIKeyIJUWAKMSRSUJPV-UHFFFAOYSA-N
MW258.13 g/mol
LogP3.50
Rot. Bonds1

About 1-(2-bromo-4-fluoro-6-methylphenyl)pyrrolidine

1-(2-bromo-4-fluoro-6-methylphenyl)pyrrolidine (PubChem CID 168511964) has the molecular formula C11H13BrFN and a molecular weight of 258.13 g/mol. Its IUPAC name is 1-(2-bromo-4-fluoro-6-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-bromo-4-fluoro-6-methylphenyl)pyrrolidine
PubChem CID168511964
Molecular FormulaC11H13BrFN
Molecular Weight258.13 g/mol
Exact Mass257.02
IUPAC Name1-(2-bromo-4-fluoro-6-methylphenyl)pyrrolidine
SMILESCc1cc(F)cc(Br)c1N1CCCC1
InChIInChI=1S/C11H13BrFN/c1-8-6-9(13)7-10(12)11(8)14-4-2-3-5-14/h6-7H,2-5H2,1H3
InChIKeyIJUWAKMSRSUJPV-UHFFFAOYSA-N
XLogP3.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.13
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluoro-6-methylphenyl)pyrrolidine?
The IUPAC name of 1-(2-bromo-4-fluoro-6-methylphenyl)pyrrolidine (CID 168511964) is 1-(2-bromo-4-fluoro-6-methylphenyl)pyrrolidine.
What is the SMILES notation for 1-(2-bromo-4-fluoro-6-methylphenyl)pyrrolidine?
The canonical SMILES for 1-(2-bromo-4-fluoro-6-methylphenyl)pyrrolidine is Cc1cc(F)cc(Br)c1N1CCCC1.
What is the InChIKey of 1-(2-bromo-4-fluoro-6-methylphenyl)pyrrolidine?
The InChIKey is IJUWAKMSRSUJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFN/c1-8-6-9(13)7-10(12)11(8)14-4-2-3-5-14/h6-7H,2-5H2,1H3.
What are the key properties of 1-(2-bromo-4-fluoro-6-methylphenyl)pyrrolidine?
1-(2-bromo-4-fluoro-6-methylphenyl)pyrrolidine has a molecular weight of 258.13 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluoro-6-methylphenyl)pyrrolidine is sourced from PubChem (CID 168511964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).