1-(bromomethyl)-3,3-difluoropyrrolidine

C5H8BrF2N — CID 116991664

IUPAC1-(bromomethyl)-3,3-difluoropyrrolidine
SMILESFC1(F)CCN(CBr)C1
InChIInChI=1S/C5H8BrF2N/c6-4-9-2-1-5(7,8)3-9/h1-4H2
InChIKeyJYSKMMKOBWLBHE-UHFFFAOYSA-N
MW200.03 g/mol
LogP1.68
Rot. Bonds1

About 1-(bromomethyl)-3,3-difluoropyrrolidine

1-(bromomethyl)-3,3-difluoropyrrolidine (PubChem CID 116991664) has the molecular formula C5H8BrF2N and a molecular weight of 200.03 g/mol. Its IUPAC name is 1-(bromomethyl)-3,3-difluoropyrrolidine.

Molecular Properties

Compound Name1-(bromomethyl)-3,3-difluoropyrrolidine
PubChem CID116991664
Molecular FormulaC5H8BrF2N
Molecular Weight200.03 g/mol
Exact Mass198.98
IUPAC Name1-(bromomethyl)-3,3-difluoropyrrolidine
SMILESFC1(F)CCN(CBr)C1
InChIInChI=1S/C5H8BrF2N/c6-4-9-2-1-5(7,8)3-9/h1-4H2
InChIKeyJYSKMMKOBWLBHE-UHFFFAOYSA-N
XLogP1.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.03
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-3,3-difluoropyrrolidine?
The IUPAC name of 1-(bromomethyl)-3,3-difluoropyrrolidine (CID 116991664) is 1-(bromomethyl)-3,3-difluoropyrrolidine.
What is the SMILES notation for 1-(bromomethyl)-3,3-difluoropyrrolidine?
The canonical SMILES for 1-(bromomethyl)-3,3-difluoropyrrolidine is FC1(F)CCN(CBr)C1.
What is the InChIKey of 1-(bromomethyl)-3,3-difluoropyrrolidine?
The InChIKey is JYSKMMKOBWLBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BrF2N/c6-4-9-2-1-5(7,8)3-9/h1-4H2.
What are the key properties of 1-(bromomethyl)-3,3-difluoropyrrolidine?
1-(bromomethyl)-3,3-difluoropyrrolidine has a molecular weight of 200.03 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-3,3-difluoropyrrolidine is sourced from PubChem (CID 116991664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).