2-(bromomethyl)-1-(2,2-difluoroethyl)pyrrolidine

C7H12BrF2N — CID 80668531

IUPAC2-(bromomethyl)-1-(2,2-difluoroethyl)pyrrolidine
SMILESFC(F)CN1CCCC1CBr
InChIInChI=1S/C7H12BrF2N/c8-4-6-2-1-3-11(6)5-7(9)10/h6-7H,1-5H2
InChIKeyWBESBQKMMKVTGP-UHFFFAOYSA-N
MW228.08 g/mol
LogP2.11
Rot. Bonds3

About 2-(bromomethyl)-1-(2,2-difluoroethyl)pyrrolidine

2-(bromomethyl)-1-(2,2-difluoroethyl)pyrrolidine (PubChem CID 80668531) has the molecular formula C7H12BrF2N and a molecular weight of 228.08 g/mol. Its IUPAC name is 2-(bromomethyl)-1-(2,2-difluoroethyl)pyrrolidine.

Molecular Properties

Compound Name2-(bromomethyl)-1-(2,2-difluoroethyl)pyrrolidine
PubChem CID80668531
Molecular FormulaC7H12BrF2N
Molecular Weight228.08 g/mol
Exact Mass227.01
IUPAC Name2-(bromomethyl)-1-(2,2-difluoroethyl)pyrrolidine
SMILESFC(F)CN1CCCC1CBr
InChIInChI=1S/C7H12BrF2N/c8-4-6-2-1-3-11(6)5-7(9)10/h6-7H,1-5H2
InChIKeyWBESBQKMMKVTGP-UHFFFAOYSA-N
XLogP2.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Bromo-1-(2,2-difluoroethyl)pyrrolidine
CID 80676188
2-Bromomethyl-1-methyl-pyrrolidine
CID 22616983
1-(3-Bromopropyl)-3,3-difluoropyrrolidine
CID 89545077
1-(2-Bromoethyl)-3,3-difluoropyrrolidine
CID 130712931
(2S)-1-methanidyl-2-(trifluoromethyl)pyrrolidine
CID 57868291
1-(2-Bromo-3,3,3-trifluoropropyl)-2-ethylpyrrolidine
CID 64758732
1-(2-Bromo-3,3,3-trifluoropropyl)-2-methylpyrrolidine
CID 64758733
2-(Bromomethyl)-1-(trifluoromethyl)pyrrolidine
CID 71648847
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)cyclopentanamine
CID 80672445
3-Bromo-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 80676101
2-(Bromomethyl)-1-(3,3,3-trifluoropropyl)pyrrolidine
CID 80676734
2-(Bromomethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 80677165

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1-(2,2-difluoroethyl)pyrrolidine?
The IUPAC name of 2-(bromomethyl)-1-(2,2-difluoroethyl)pyrrolidine (CID 80668531) is 2-(bromomethyl)-1-(2,2-difluoroethyl)pyrrolidine.
What is the SMILES notation for 2-(bromomethyl)-1-(2,2-difluoroethyl)pyrrolidine?
The canonical SMILES for 2-(bromomethyl)-1-(2,2-difluoroethyl)pyrrolidine is FC(F)CN1CCCC1CBr.
What is the InChIKey of 2-(bromomethyl)-1-(2,2-difluoroethyl)pyrrolidine?
The InChIKey is WBESBQKMMKVTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrF2N/c8-4-6-2-1-3-11(6)5-7(9)10/h6-7H,1-5H2.
What are the key properties of 2-(bromomethyl)-1-(2,2-difluoroethyl)pyrrolidine?
2-(bromomethyl)-1-(2,2-difluoroethyl)pyrrolidine has a molecular weight of 228.08 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1-(2,2-difluoroethyl)pyrrolidine is sourced from PubChem (CID 80668531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).