1-[6-bromo-3-fluoro-2-(trifluoromethoxy)phenyl]pyrrolidine

C11H10BrF4NO — CID 168515165

IUPAC1-[6-bromo-3-fluoro-2-(trifluoromethoxy)phenyl]pyrrolidine
SMILESFc1ccc(Br)c(N2CCCC2)c1OC(F)(F)F
InChIInChI=1S/C11H10BrF4NO/c12-7-3-4-8(13)10(18-11(14,15)16)9(7)17-5-1-2-6-17/h3-4H,1-2,5-6H2
InChIKeyGMIQWTILMMNXCF-UHFFFAOYSA-N
MW328.10 g/mol
LogP4.09
Rot. Bonds2

About 1-[6-bromo-3-fluoro-2-(trifluoromethoxy)phenyl]pyrrolidine

1-[6-bromo-3-fluoro-2-(trifluoromethoxy)phenyl]pyrrolidine (PubChem CID 168515165) has the molecular formula C11H10BrF4NO and a molecular weight of 328.10 g/mol. Its IUPAC name is 1-[6-bromo-3-fluoro-2-(trifluoromethoxy)phenyl]pyrrolidine.

Molecular Properties

Compound Name1-[6-bromo-3-fluoro-2-(trifluoromethoxy)phenyl]pyrrolidine
PubChem CID168515165
Molecular FormulaC11H10BrF4NO
Molecular Weight328.10 g/mol
Exact Mass326.99
IUPAC Name1-[6-bromo-3-fluoro-2-(trifluoromethoxy)phenyl]pyrrolidine
SMILESFc1ccc(Br)c(N2CCCC2)c1OC(F)(F)F
InChIInChI=1S/C11H10BrF4NO/c12-7-3-4-8(13)10(18-11(14,15)16)9(7)17-5-1-2-6-17/h3-4H,1-2,5-6H2
InChIKeyGMIQWTILMMNXCF-UHFFFAOYSA-N
XLogP4.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.10
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-3-fluoro-2-pyrrolidin-1-ylphenol
CID 168515676
3-bromo-5-pyrrolidin-1-yl-4-(trifluoromethoxy)benzoic acid
CID 168515686
N-[6-bromo-3-fluoro-2-(trifluoromethoxy)phenyl]formamide
CID 168651965
2-bromo-4-fluoro-3-(trifluoromethoxy)aniline
CID 119010333
1-[2-bromo-6-nitro-4-(trifluoromethoxy)phenyl]pyrrolidine
CID 168512262
1-(6-bromo-2,3,4-trifluorophenyl)pyrrolidine
CID 168512097
1,2-dibromo-3,5-difluoro-4-(trifluoromethoxy)benzene
CID 118841593
1-[2-bromo-4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine
CID 168512492
1-(2-chloro-3,6-difluorophenyl)pyrrolidine
CID 168513043
4-fluoro-3-(trifluoromethoxy)benzene-1,2-diamine
CID 99770322
3-bromo-5-fluoro-4-pyrrolidin-1-ylaniline
CID 84709742
(3R)-1-(2-bromo-6-fluorophenyl)-3-deuteriopyrrolidine
CID 175934790

Frequently Asked Questions

What is the IUPAC name of 1-[6-bromo-3-fluoro-2-(trifluoromethoxy)phenyl]pyrrolidine?
The IUPAC name of 1-[6-bromo-3-fluoro-2-(trifluoromethoxy)phenyl]pyrrolidine (CID 168515165) is 1-[6-bromo-3-fluoro-2-(trifluoromethoxy)phenyl]pyrrolidine.
What is the SMILES notation for 1-[6-bromo-3-fluoro-2-(trifluoromethoxy)phenyl]pyrrolidine?
The canonical SMILES for 1-[6-bromo-3-fluoro-2-(trifluoromethoxy)phenyl]pyrrolidine is Fc1ccc(Br)c(N2CCCC2)c1OC(F)(F)F.
What is the InChIKey of 1-[6-bromo-3-fluoro-2-(trifluoromethoxy)phenyl]pyrrolidine?
The InChIKey is GMIQWTILMMNXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF4NO/c12-7-3-4-8(13)10(18-11(14,15)16)9(7)17-5-1-2-6-17/h3-4H,1-2,5-6H2.
What are the key properties of 1-[6-bromo-3-fluoro-2-(trifluoromethoxy)phenyl]pyrrolidine?
1-[6-bromo-3-fluoro-2-(trifluoromethoxy)phenyl]pyrrolidine has a molecular weight of 328.10 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-bromo-3-fluoro-2-(trifluoromethoxy)phenyl]pyrrolidine is sourced from PubChem (CID 168515165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).