2-(3-bromophenyl)-4,4-difluoropyrrolidine

C10H10BrF2N — CID 84729618

IUPAC2-(3-bromophenyl)-4,4-difluoropyrrolidine
SMILESFC1(F)CNC(c2cccc(Br)c2)C1
InChIInChI=1S/C10H10BrF2N/c11-8-3-1-2-7(4-8)9-5-10(12,13)6-14-9/h1-4,9,14H,5-6H2
InChIKeyBDVAYPXGRXYJGO-UHFFFAOYSA-N
MW262.10 g/mol
LogP3.12
Rot. Bonds1

About 2-(3-bromophenyl)-4,4-difluoropyrrolidine

2-(3-bromophenyl)-4,4-difluoropyrrolidine (PubChem CID 84729618) has the molecular formula C10H10BrF2N and a molecular weight of 262.10 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4,4-difluoropyrrolidine.

Molecular Properties

Compound Name2-(3-bromophenyl)-4,4-difluoropyrrolidine
PubChem CID84729618
Molecular FormulaC10H10BrF2N
Molecular Weight262.10 g/mol
Exact Mass261.00
IUPAC Name2-(3-bromophenyl)-4,4-difluoropyrrolidine
SMILESFC1(F)CNC(c2cccc(Br)c2)C1
InChIInChI=1S/C10H10BrF2N/c11-8-3-1-2-7(4-8)9-5-10(12,13)6-14-9/h1-4,9,14H,5-6H2
InChIKeyBDVAYPXGRXYJGO-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,4-difluoro-2-(3-methylphenyl)pyrrolidine
CID 84720826
4,4-difluoro-2-(3-methylphenyl)pyrrolidine;hydrochloride
CID 115039890
1-bromo-3-[(1R)-2,2-difluorocyclopropyl]benzene
CID 97296884
2-(3-bromophenyl)-4-fluoropyrrolidine
CID 84728358
2-(3-bromophenyl)-4-(3,4,5-trichlorophenyl)-4-(trifluoromethyl)pyrrolidine
CID 174702175
4-(3-bromophenyl)-3,3-difluoropiperidine
CID 105426890
2-(2-bromo-5-fluorophenyl)-4,4-difluoropyrrolidine
CID 83854849
2-(3-bromophenyl)imidazolidine
CID 57237390
2-(3-bromophenyl)-4-methylazetidine
CID 116822056
3-(4,4-difluoropiperidin-2-yl)phenol
CID 84782688
3-(3-bromophenyl)morpholine;hydrochloride
CID 122156777
4-(3-bromophenyl)-2,2-dimethylpiperidine
CID 117258218

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-4,4-difluoropyrrolidine?
The IUPAC name of 2-(3-bromophenyl)-4,4-difluoropyrrolidine (CID 84729618) is 2-(3-bromophenyl)-4,4-difluoropyrrolidine.
What is the SMILES notation for 2-(3-bromophenyl)-4,4-difluoropyrrolidine?
The canonical SMILES for 2-(3-bromophenyl)-4,4-difluoropyrrolidine is FC1(F)CNC(c2cccc(Br)c2)C1.
What is the InChIKey of 2-(3-bromophenyl)-4,4-difluoropyrrolidine?
The InChIKey is BDVAYPXGRXYJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2N/c11-8-3-1-2-7(4-8)9-5-10(12,13)6-14-9/h1-4,9,14H,5-6H2.
What are the key properties of 2-(3-bromophenyl)-4,4-difluoropyrrolidine?
2-(3-bromophenyl)-4,4-difluoropyrrolidine has a molecular weight of 262.10 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-4,4-difluoropyrrolidine is sourced from PubChem (CID 84729618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).