3-bromo-1-(2,2-difluoroethyl)pyrrolidine

C6H10BrF2N — CID 80676188

IUPAC3-bromo-1-(2,2-difluoroethyl)pyrrolidine
SMILESFC(F)CN1CCC(Br)C1
InChIInChI=1S/C6H10BrF2N/c7-5-1-2-10(3-5)4-6(8)9/h5-6H,1-4H2
InChIKeyVGLWDLPGBUVTTH-UHFFFAOYSA-N
MW214.05 g/mol
LogP1.72
Rot. Bonds2

About 3-bromo-1-(2,2-difluoroethyl)pyrrolidine

3-bromo-1-(2,2-difluoroethyl)pyrrolidine (PubChem CID 80676188) has the molecular formula C6H10BrF2N and a molecular weight of 214.05 g/mol. Its IUPAC name is 3-bromo-1-(2,2-difluoroethyl)pyrrolidine.

Molecular Properties

Compound Name3-bromo-1-(2,2-difluoroethyl)pyrrolidine
PubChem CID80676188
Molecular FormulaC6H10BrF2N
Molecular Weight214.05 g/mol
Exact Mass213.00
IUPAC Name3-bromo-1-(2,2-difluoroethyl)pyrrolidine
SMILESFC(F)CN1CCC(Br)C1
InChIInChI=1S/C6H10BrF2N/c7-5-1-2-10(3-5)4-6(8)9/h5-6H,1-4H2
InChIKeyVGLWDLPGBUVTTH-UHFFFAOYSA-N
XLogP1.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.05
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(2,2-difluoroethyl)pyrrolidine?
The IUPAC name of 3-bromo-1-(2,2-difluoroethyl)pyrrolidine (CID 80676188) is 3-bromo-1-(2,2-difluoroethyl)pyrrolidine.
What is the SMILES notation for 3-bromo-1-(2,2-difluoroethyl)pyrrolidine?
The canonical SMILES for 3-bromo-1-(2,2-difluoroethyl)pyrrolidine is FC(F)CN1CCC(Br)C1.
What is the InChIKey of 3-bromo-1-(2,2-difluoroethyl)pyrrolidine?
The InChIKey is VGLWDLPGBUVTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrF2N/c7-5-1-2-10(3-5)4-6(8)9/h5-6H,1-4H2.
What are the key properties of 3-bromo-1-(2,2-difluoroethyl)pyrrolidine?
3-bromo-1-(2,2-difluoroethyl)pyrrolidine has a molecular weight of 214.05 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(2,2-difluoroethyl)pyrrolidine is sourced from PubChem (CID 80676188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).