3-(4-bromo-3-chloro-5-fluorophenyl)pyrrolidine

C10H10BrClFN — CID 117446844

IUPAC3-(4-bromo-3-chloro-5-fluorophenyl)pyrrolidine
SMILESFc1cc(C2CCNC2)cc(Cl)c1Br
InChIInChI=1S/C10H10BrClFN/c11-10-8(12)3-7(4-9(10)13)6-1-2-14-5-6/h3-4,6,14H,1-2,5H2
InChIKeyNGFXLULGPUAWPT-UHFFFAOYSA-N
MW278.55 g/mol
LogP3.32
Rot. Bonds1

About 3-(4-bromo-3-chloro-5-fluorophenyl)pyrrolidine

3-(4-bromo-3-chloro-5-fluorophenyl)pyrrolidine (PubChem CID 117446844) has the molecular formula C10H10BrClFN and a molecular weight of 278.55 g/mol. Its IUPAC name is 3-(4-bromo-3-chloro-5-fluorophenyl)pyrrolidine.

Molecular Properties

Compound Name3-(4-bromo-3-chloro-5-fluorophenyl)pyrrolidine
PubChem CID117446844
Molecular FormulaC10H10BrClFN
Molecular Weight278.55 g/mol
Exact Mass276.97
IUPAC Name3-(4-bromo-3-chloro-5-fluorophenyl)pyrrolidine
SMILESFc1cc(C2CCNC2)cc(Cl)c1Br
InChIInChI=1S/C10H10BrClFN/c11-10-8(12)3-7(4-9(10)13)6-1-2-14-5-6/h3-4,6,14H,1-2,5H2
InChIKeyNGFXLULGPUAWPT-UHFFFAOYSA-N
XLogP3.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.55
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,6-difluoro-4-pyrrolidin-3-ylphenol
CID 84775153
4-(3,5-dichloro-4-fluorophenyl)piperidine
CID 117372762
3-[3-bromo-5-fluoro-4-(methoxymethyl)phenyl]pyrrolidine
CID 117465145
4-bromo-5-fluoro-2-pyrrolidin-3-ylpyridine
CID 130153359
3-(2-bromo-4-chloro-3,5,6-trifluorophenyl)pyrrolidine
CID 117116714
3-(3-chloro-5-methoxy-4-propan-2-ylphenyl)pyrrolidine
CID 117387946
(3S)-3-(4-chlorophenyl)pyrrolidine;hydrochloride
CID 71742220
3-bromo-4-fluoro-6-methoxy-2-pyrrolidin-3-ylphenol
CID 117468431
3-(3-chloro-4-cyclopropyl-5-methoxyphenyl)pyrrolidine
CID 117382800
3-(4-chloro-5-propan-2-ylfuran-2-yl)pyrrolidine
CID 83835431
(3S)-3-(4-chloro-3-iodophenyl)pyrrolidine
CID 131162893
3-(3-chloro-5-fluorophenyl)piperidine
CID 24904336

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-chloro-5-fluorophenyl)pyrrolidine?
The IUPAC name of 3-(4-bromo-3-chloro-5-fluorophenyl)pyrrolidine (CID 117446844) is 3-(4-bromo-3-chloro-5-fluorophenyl)pyrrolidine.
What is the SMILES notation for 3-(4-bromo-3-chloro-5-fluorophenyl)pyrrolidine?
The canonical SMILES for 3-(4-bromo-3-chloro-5-fluorophenyl)pyrrolidine is Fc1cc(C2CCNC2)cc(Cl)c1Br.
What is the InChIKey of 3-(4-bromo-3-chloro-5-fluorophenyl)pyrrolidine?
The InChIKey is NGFXLULGPUAWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClFN/c11-10-8(12)3-7(4-9(10)13)6-1-2-14-5-6/h3-4,6,14H,1-2,5H2.
What are the key properties of 3-(4-bromo-3-chloro-5-fluorophenyl)pyrrolidine?
3-(4-bromo-3-chloro-5-fluorophenyl)pyrrolidine has a molecular weight of 278.55 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-chloro-5-fluorophenyl)pyrrolidine is sourced from PubChem (CID 117446844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).