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

C11H13BrFN — CID 84729407

IUPAC2-(2-bromophenyl)-3-fluoro-3-methylpyrrolidine
SMILESCC1(F)CCNC1c1ccccc1Br
InChIInChI=1S/C11H13BrFN/c1-11(13)6-7-14-10(11)8-4-2-3-5-9(8)12/h2-5,10,14H,6-7H2,1H3
InChIKeyQCQIEPSUSVKQRC-UHFFFAOYSA-N
MW258.13 g/mol
LogP3.21
Rot. Bonds1

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

2-(2-bromophenyl)-3-fluoro-3-methylpyrrolidine (PubChem CID 84729407) has the molecular formula C11H13BrFN and a molecular weight of 258.13 g/mol. Its IUPAC name is 2-(2-bromophenyl)-3-fluoro-3-methylpyrrolidine.

Molecular Properties

Compound Name2-(2-bromophenyl)-3-fluoro-3-methylpyrrolidine
PubChem CID84729407
Molecular FormulaC11H13BrFN
Molecular Weight258.13 g/mol
Exact Mass257.02
IUPAC Name2-(2-bromophenyl)-3-fluoro-3-methylpyrrolidine
SMILESCC1(F)CCNC1c1ccccc1Br
InChIInChI=1S/C11H13BrFN/c1-11(13)6-7-14-10(11)8-4-2-3-5-9(8)12/h2-5,10,14H,6-7H2,1H3
InChIKeyQCQIEPSUSVKQRC-UHFFFAOYSA-N
XLogP3.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.13
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-fluoro-3-methylpyrrolidin-2-yl)phenol
CID 84720448
2-(2-bromophenyl)-3,3-difluoropiperidine
CID 84730265
3,3-difluoro-2-(2-methylphenyl)pyrrolidine;hydrochloride
CID 115039884
2-(2-bromophenyl)imidazolidine
CID 10331308
2-(4-bromophenyl)-3-fluoro-3-methylpiperidine
CID 84730127
2-(3,3-difluoropyrrolidin-2-yl)phenol
CID 84721047
(4R)-4-(2-bromophenyl)-5,5-difluoro-1,3-oxazinan-2-one
CID 171187559
(4R)-4-(2-bromophenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171186085
2-(2-bromophenyl)-4,4-difluoro-2-methylpiperidine
CID 115052625
3,3-difluoro-2-phenylpyrrolidine;hydrochloride
CID 84724544
2-(2-bromophenyl)-9,9-dimethyl-1-oxa-4-azaspiro[5.5]undecane
CID 65117829
2-(2-bromophenyl)pyrrolidin-3-one;hydrochloride
CID 115051098

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-3-fluoro-3-methylpyrrolidine?
The IUPAC name of 2-(2-bromophenyl)-3-fluoro-3-methylpyrrolidine (CID 84729407) is 2-(2-bromophenyl)-3-fluoro-3-methylpyrrolidine.
What is the SMILES notation for 2-(2-bromophenyl)-3-fluoro-3-methylpyrrolidine?
The canonical SMILES for 2-(2-bromophenyl)-3-fluoro-3-methylpyrrolidine is CC1(F)CCNC1c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-3-fluoro-3-methylpyrrolidine?
The InChIKey is QCQIEPSUSVKQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFN/c1-11(13)6-7-14-10(11)8-4-2-3-5-9(8)12/h2-5,10,14H,6-7H2,1H3.
What are the key properties of 2-(2-bromophenyl)-3-fluoro-3-methylpyrrolidine?
2-(2-bromophenyl)-3-fluoro-3-methylpyrrolidine has a molecular weight of 258.13 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-3-fluoro-3-methylpyrrolidine is sourced from PubChem (CID 84729407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).