1-(2-bromoethyl)-3,3-difluoropyrrolidine

C6H10BrF2N — CID 130712931

IUPAC1-(2-bromoethyl)-3,3-difluoropyrrolidine
SMILESFC1(F)CCN(CCBr)C1
InChIInChI=1S/C6H10BrF2N/c7-2-4-10-3-1-6(8,9)5-10/h1-5H2
InChIKeyVQAFYODPIVCSNP-UHFFFAOYSA-N
MW214.05 g/mol
LogP1.72
Rot. Bonds2

About 1-(2-bromoethyl)-3,3-difluoropyrrolidine

1-(2-bromoethyl)-3,3-difluoropyrrolidine (PubChem CID 130712931) has the molecular formula C6H10BrF2N and a molecular weight of 214.05 g/mol. Its IUPAC name is 1-(2-bromoethyl)-3,3-difluoropyrrolidine.

Molecular Properties

Compound Name1-(2-bromoethyl)-3,3-difluoropyrrolidine
PubChem CID130712931
Molecular FormulaC6H10BrF2N
Molecular Weight214.05 g/mol
Exact Mass213.00
IUPAC Name1-(2-bromoethyl)-3,3-difluoropyrrolidine
SMILESFC1(F)CCN(CCBr)C1
InChIInChI=1S/C6H10BrF2N/c7-2-4-10-3-1-6(8,9)5-10/h1-5H2
InChIKeyVQAFYODPIVCSNP-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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Related Compounds

1-(2,2,2-Trifluoroethyl)pyrrolidine
CID 21810045
1-(2-Bromoethyl)-3,3-difluoropyrrolidine hydrobromide
CID 137943264
1-(2-Bromoethyl)pyrrolidine
CID 12440780
Trifluoromethylpyrrolidine
CID 22011299
3-Bromo-1-(2,2-difluoroethyl)pyrrolidine
CID 80676188
1-(Difluoromethyl)pyrrolidine
CID 68643674
1-(2,2,3-Trifluoropropyl)pyrrolidine
CID 69399425
1-(3,3,3-Trifluoropropyl)pyrrolidine
CID 69399429
1-(2,3,3-Trifluoropropyl)pyrrolidine
CID 69399431
1-(1,1,2-Trifluoroethyl)pyrrolidine
CID 69400976
1-(1,2,2-Trifluoroethyl)pyrrolidine
CID 69400979
1-(2,2-Difluoroethyl)pyrrolidine
CID 87193198

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethyl)-3,3-difluoropyrrolidine?
The IUPAC name of 1-(2-bromoethyl)-3,3-difluoropyrrolidine (CID 130712931) is 1-(2-bromoethyl)-3,3-difluoropyrrolidine.
What is the SMILES notation for 1-(2-bromoethyl)-3,3-difluoropyrrolidine?
The canonical SMILES for 1-(2-bromoethyl)-3,3-difluoropyrrolidine is FC1(F)CCN(CCBr)C1.
What is the InChIKey of 1-(2-bromoethyl)-3,3-difluoropyrrolidine?
The InChIKey is VQAFYODPIVCSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrF2N/c7-2-4-10-3-1-6(8,9)5-10/h1-5H2.
What are the key properties of 1-(2-bromoethyl)-3,3-difluoropyrrolidine?
1-(2-bromoethyl)-3,3-difluoropyrrolidine 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 1-(2-bromoethyl)-3,3-difluoropyrrolidine is sourced from PubChem (CID 130712931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).