3-[2-bromo-3-(trifluoromethyl)phenyl]pyrrolidine

C11H11BrF3N — CID 117103970

IUPAC3-[2-bromo-3-(trifluoromethyl)phenyl]pyrrolidine
SMILESFC(F)(F)c1cccc(C2CCNC2)c1Br
InChIInChI=1S/C11H11BrF3N/c12-10-8(7-4-5-16-6-7)2-1-3-9(10)11(13,14)15/h1-3,7,16H,4-6H2
InChIKeyWLOORKKEILHMSK-UHFFFAOYSA-N
MW294.11 g/mol
LogP3.54
Rot. Bonds1

About 3-[2-bromo-3-(trifluoromethyl)phenyl]pyrrolidine

3-[2-bromo-3-(trifluoromethyl)phenyl]pyrrolidine (PubChem CID 117103970) has the molecular formula C11H11BrF3N and a molecular weight of 294.11 g/mol. Its IUPAC name is 3-[2-bromo-3-(trifluoromethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name3-[2-bromo-3-(trifluoromethyl)phenyl]pyrrolidine
PubChem CID117103970
Molecular FormulaC11H11BrF3N
Molecular Weight294.11 g/mol
Exact Mass293.00
IUPAC Name3-[2-bromo-3-(trifluoromethyl)phenyl]pyrrolidine
SMILESFC(F)(F)c1cccc(C2CCNC2)c1Br
InChIInChI=1S/C11H11BrF3N/c12-10-8(7-4-5-16-6-7)2-1-3-9(10)11(13,14)15/h1-3,7,16H,4-6H2
InChIKeyWLOORKKEILHMSK-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.11
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-bromo-2-fluorophenyl)pyrrolidine
CID 83720848
3-(2-bromo-3-methoxyphenyl)pyrrolidine
CID 83730898
(3R)-3-(2-bromophenyl)pyrrolidine
CID 95447261
(3R)-3-(2-bromo-3-fluorophenyl)piperidine
CID 130628517
3-[6-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzodioxepin-9-yl]pyrrolidine
CID 117463459
2-methoxy-6-pyrrolidin-3-yl-3-(trifluoromethyl)phenol
CID 84710536
(3S)-3-(3-chloro-2-fluorophenyl)pyrrolidine
CID 131096637
4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine
CID 83392377
2-pyrrolidin-3-yl-5-(trifluoromethyl)aniline
CID 117103696
3-[2,6-bis(trifluoromethyl)phenyl]azetidine;hydrochloride
CID 154791421
1-cyclopropyl-2,3-bis(trifluoromethyl)benzene
CID 175858113
2-amino-3-pyrrolidin-3-ylphenol
CID 117103712

Frequently Asked Questions

What is the IUPAC name of 3-[2-bromo-3-(trifluoromethyl)phenyl]pyrrolidine?
The IUPAC name of 3-[2-bromo-3-(trifluoromethyl)phenyl]pyrrolidine (CID 117103970) is 3-[2-bromo-3-(trifluoromethyl)phenyl]pyrrolidine.
What is the SMILES notation for 3-[2-bromo-3-(trifluoromethyl)phenyl]pyrrolidine?
The canonical SMILES for 3-[2-bromo-3-(trifluoromethyl)phenyl]pyrrolidine is FC(F)(F)c1cccc(C2CCNC2)c1Br.
What is the InChIKey of 3-[2-bromo-3-(trifluoromethyl)phenyl]pyrrolidine?
The InChIKey is WLOORKKEILHMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF3N/c12-10-8(7-4-5-16-6-7)2-1-3-9(10)11(13,14)15/h1-3,7,16H,4-6H2.
What are the key properties of 3-[2-bromo-3-(trifluoromethyl)phenyl]pyrrolidine?
3-[2-bromo-3-(trifluoromethyl)phenyl]pyrrolidine has a molecular weight of 294.11 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-bromo-3-(trifluoromethyl)phenyl]pyrrolidine is sourced from PubChem (CID 117103970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).