1-[2-bromo-4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine

C11H10BrF4N — CID 168512492

IUPAC1-[2-bromo-4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine
SMILESFc1ccc(N2CCCC2)c(Br)c1C(F)(F)F
InChIInChI=1S/C11H10BrF4N/c12-10-8(17-5-1-2-6-17)4-3-7(13)9(10)11(14,15)16/h3-4H,1-2,5-6H2
InChIKeyZUWZYOOFCFPZGV-UHFFFAOYSA-N
MW312.10 g/mol
LogP4.21
Rot. Bonds1

About 1-[2-bromo-4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine

1-[2-bromo-4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine (PubChem CID 168512492) has the molecular formula C11H10BrF4N and a molecular weight of 312.10 g/mol. Its IUPAC name is 1-[2-bromo-4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-bromo-4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine
PubChem CID168512492
Molecular FormulaC11H10BrF4N
Molecular Weight312.10 g/mol
Exact Mass310.99
IUPAC Name1-[2-bromo-4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine
SMILESFc1ccc(N2CCCC2)c(Br)c1C(F)(F)F
InChIInChI=1S/C11H10BrF4N/c12-10-8(17-5-1-2-6-17)4-3-7(13)9(10)11(14,15)16/h3-4H,1-2,5-6H2
InChIKeyZUWZYOOFCFPZGV-UHFFFAOYSA-N
XLogP4.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.10
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-fluoro-2-(trifluoromethyl)phenyl]pyrrolidine
CID 71651474
1-[2,4-dichloro-3-(trifluoromethyl)phenyl]pyrrolidine
CID 168513028
1-[4-bromo-2-(trifluoromethyl)phenyl]piperidine
CID 91620600
2-(2-fluoro-6-pyrrolidin-1-ylphenyl)propan-2-amine
CID 117318641
1-(2,5-difluorophenyl)piperidine
CID 22638080
3-fluoro-4-pyrrolidin-1-ylbenzoic acid
CID 28604177
1-[6-bromo-3-fluoro-2-(trifluoromethoxy)phenyl]pyrrolidine
CID 168515165
1-(2-bromo-5-fluorophenyl)azepane
CID 84713262
1-(2,3-difluoro-4-methylphenyl)pyrrolidine
CID 168515209
1-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-4-fluorophenyl]pyrrolidine
CID 168515552
1-(3-bromo-4-fluoro-2-methylphenyl)piperazine
CID 84810017
1-[4-tert-butyl-2-(trifluoromethyl)phenyl]piperidine
CID 58412701

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine?
The IUPAC name of 1-[2-bromo-4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine (CID 168512492) is 1-[2-bromo-4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine.
What is the SMILES notation for 1-[2-bromo-4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine?
The canonical SMILES for 1-[2-bromo-4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine is Fc1ccc(N2CCCC2)c(Br)c1C(F)(F)F.
What is the InChIKey of 1-[2-bromo-4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine?
The InChIKey is ZUWZYOOFCFPZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF4N/c12-10-8(17-5-1-2-6-17)4-3-7(13)9(10)11(14,15)16/h3-4H,1-2,5-6H2.
What are the key properties of 1-[2-bromo-4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine?
1-[2-bromo-4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine has a molecular weight of 312.10 g/mol, XLogP of 4.21, 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-3-(trifluoromethyl)phenyl]pyrrolidine is sourced from PubChem (CID 168512492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).