2-(3-bromo-4,5-difluorophenyl)pyrrolidine

C10H10BrF2N — CID 117409353

IUPAC2-(3-bromo-4,5-difluorophenyl)pyrrolidine
SMILESFc1cc(C2CCCN2)cc(Br)c1F
InChIInChI=1S/C10H10BrF2N/c11-7-4-6(5-8(12)10(7)13)9-2-1-3-14-9/h4-5,9,14H,1-3H2
InChIKeyHGUNCJWWBOKDAL-UHFFFAOYSA-N
MW262.10 g/mol
LogP3.15
Rot. Bonds1

About 2-(3-bromo-4,5-difluorophenyl)pyrrolidine

2-(3-bromo-4,5-difluorophenyl)pyrrolidine (PubChem CID 117409353) has the molecular formula C10H10BrF2N and a molecular weight of 262.10 g/mol. Its IUPAC name is 2-(3-bromo-4,5-difluorophenyl)pyrrolidine.

Molecular Properties

Compound Name2-(3-bromo-4,5-difluorophenyl)pyrrolidine
PubChem CID117409353
Molecular FormulaC10H10BrF2N
Molecular Weight262.10 g/mol
Exact Mass261.00
IUPAC Name2-(3-bromo-4,5-difluorophenyl)pyrrolidine
SMILESFc1cc(C2CCCN2)cc(Br)c1F
InChIInChI=1S/C10H10BrF2N/c11-7-4-6(5-8(12)10(7)13)9-2-1-3-14-9/h4-5,9,14H,1-3H2
InChIKeyHGUNCJWWBOKDAL-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.10
LogP ≤ 53.15
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-(3-bromo-4-fluoro-5-propan-2-ylphenyl)piperidine
CID 117483845
2-(3,4-difluoro-5-methoxyphenyl)pyrrolidine;hydrochloride
CID 146049321
2-(3,5-difluoro-4-methoxyphenyl)pyrrolidine
CID 77131566
2-(3-bromo-2,4,5-trifluorophenyl)pyrrolidine
CID 117116819
2-(4-tert-butyl-3,5-difluorophenyl)pyrrolidine
CID 170256865
2,3-difluoro-N,N-dimethyl-5-piperidin-2-ylaniline
CID 117116358
2-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]pyrrolidine
CID 84678483
2-(7-bromo-2,3-dihydro-1H-inden-5-yl)pyrrolidine
CID 84711652
(2R)-2-(4-bromo-2,6-difluorophenyl)pyrrolidine
CID 130663850
2-(3-bromo-4-chlorophenyl)pyrrolidine
CID 53403563
2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol
CID 66519672
2-(3-bromo-4-methoxy-5-methylsulfanylphenyl)pyrrolidine
CID 117486891

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4,5-difluorophenyl)pyrrolidine?
The IUPAC name of 2-(3-bromo-4,5-difluorophenyl)pyrrolidine (CID 117409353) is 2-(3-bromo-4,5-difluorophenyl)pyrrolidine.
What is the SMILES notation for 2-(3-bromo-4,5-difluorophenyl)pyrrolidine?
The canonical SMILES for 2-(3-bromo-4,5-difluorophenyl)pyrrolidine is Fc1cc(C2CCCN2)cc(Br)c1F.
What is the InChIKey of 2-(3-bromo-4,5-difluorophenyl)pyrrolidine?
The InChIKey is HGUNCJWWBOKDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2N/c11-7-4-6(5-8(12)10(7)13)9-2-1-3-14-9/h4-5,9,14H,1-3H2.
What are the key properties of 2-(3-bromo-4,5-difluorophenyl)pyrrolidine?
2-(3-bromo-4,5-difluorophenyl)pyrrolidine has a molecular weight of 262.10 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4,5-difluorophenyl)pyrrolidine is sourced from PubChem (CID 117409353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).