(2R)-1-(bromomethylsulfonyl)-2-(difluoromethyl)pyrrolidine

C6H10BrF2NO2S — CID 130628615

IUPAC(2R)-1-(bromomethylsulfonyl)-2-(difluoromethyl)pyrrolidine
SMILESO=S(=O)(CBr)N1CCC[C@@H]1C(F)F
InChIInChI=1S/C6H10BrF2NO2S/c7-4-13(11,12)10-3-1-2-5(10)6(8)9/h5-6H,1-4H2/t5-/m1/s1
InChIKeyFPCLLSQALRKJPY-RXMQYKEDSA-N
MW278.12 g/mol
LogP1.40
Rot. Bonds3

About (2R)-1-(bromomethylsulfonyl)-2-(difluoromethyl)pyrrolidine

(2R)-1-(bromomethylsulfonyl)-2-(difluoromethyl)pyrrolidine (PubChem CID 130628615) has the molecular formula C6H10BrF2NO2S and a molecular weight of 278.12 g/mol. Its IUPAC name is (2R)-1-(bromomethylsulfonyl)-2-(difluoromethyl)pyrrolidine.

Molecular Properties

Compound Name(2R)-1-(bromomethylsulfonyl)-2-(difluoromethyl)pyrrolidine
PubChem CID130628615
Molecular FormulaC6H10BrF2NO2S
Molecular Weight278.12 g/mol
Exact Mass276.96
IUPAC Name(2R)-1-(bromomethylsulfonyl)-2-(difluoromethyl)pyrrolidine
SMILESO=S(=O)(CBr)N1CCC[C@@H]1C(F)F
InChIInChI=1S/C6H10BrF2NO2S/c7-4-13(11,12)10-3-1-2-5(10)6(8)9/h5-6H,1-4H2/t5-/m1/s1
InChIKeyFPCLLSQALRKJPY-RXMQYKEDSA-N
XLogP1.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.12
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (2R)-1-(bromomethylsulfonyl)-2-(difluoromethyl)pyrrolidine?
The IUPAC name of (2R)-1-(bromomethylsulfonyl)-2-(difluoromethyl)pyrrolidine (CID 130628615) is (2R)-1-(bromomethylsulfonyl)-2-(difluoromethyl)pyrrolidine.
What is the SMILES notation for (2R)-1-(bromomethylsulfonyl)-2-(difluoromethyl)pyrrolidine?
The canonical SMILES for (2R)-1-(bromomethylsulfonyl)-2-(difluoromethyl)pyrrolidine is O=S(=O)(CBr)N1CCC[C@@H]1C(F)F.
What is the InChIKey of (2R)-1-(bromomethylsulfonyl)-2-(difluoromethyl)pyrrolidine?
The InChIKey is FPCLLSQALRKJPY-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H10BrF2NO2S/c7-4-13(11,12)10-3-1-2-5(10)6(8)9/h5-6H,1-4H2/t5-/m1/s1.
What are the key properties of (2R)-1-(bromomethylsulfonyl)-2-(difluoromethyl)pyrrolidine?
(2R)-1-(bromomethylsulfonyl)-2-(difluoromethyl)pyrrolidine has a molecular weight of 278.12 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(bromomethylsulfonyl)-2-(difluoromethyl)pyrrolidine is sourced from PubChem (CID 130628615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).