1-(2-bromo-3,3,3-trifluoropropyl)-2-methylpyrrolidine

C8H13BrF3N — CID 64758733

IUPAC1-(2-bromo-3,3,3-trifluoropropyl)-2-methylpyrrolidine
SMILESCC1CCCN1CC(Br)C(F)(F)F
InChIInChI=1S/C8H13BrF3N/c1-6-3-2-4-13(6)5-7(9)8(10,11)12/h6-7H,2-5H2,1H3
InChIKeyLCLUGTNZNRSTGD-UHFFFAOYSA-N
MW260.10 g/mol
LogP2.80
Rot. Bonds2

About 1-(2-bromo-3,3,3-trifluoropropyl)-2-methylpyrrolidine

1-(2-bromo-3,3,3-trifluoropropyl)-2-methylpyrrolidine (PubChem CID 64758733) has the molecular formula C8H13BrF3N and a molecular weight of 260.10 g/mol. Its IUPAC name is 1-(2-bromo-3,3,3-trifluoropropyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name1-(2-bromo-3,3,3-trifluoropropyl)-2-methylpyrrolidine
PubChem CID64758733
Molecular FormulaC8H13BrF3N
Molecular Weight260.10 g/mol
Exact Mass259.02
IUPAC Name1-(2-bromo-3,3,3-trifluoropropyl)-2-methylpyrrolidine
SMILESCC1CCCN1CC(Br)C(F)(F)F
InChIInChI=1S/C8H13BrF3N/c1-6-3-2-4-13(6)5-7(9)8(10,11)12/h6-7H,2-5H2,1H3
InChIKeyLCLUGTNZNRSTGD-UHFFFAOYSA-N
XLogP2.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.10
LogP ≤ 52.80
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 1-(2-bromo-3,3,3-trifluoropropyl)-2-methylpyrrolidine?
The IUPAC name of 1-(2-bromo-3,3,3-trifluoropropyl)-2-methylpyrrolidine (CID 64758733) is 1-(2-bromo-3,3,3-trifluoropropyl)-2-methylpyrrolidine.
What is the SMILES notation for 1-(2-bromo-3,3,3-trifluoropropyl)-2-methylpyrrolidine?
The canonical SMILES for 1-(2-bromo-3,3,3-trifluoropropyl)-2-methylpyrrolidine is CC1CCCN1CC(Br)C(F)(F)F.
What is the InChIKey of 1-(2-bromo-3,3,3-trifluoropropyl)-2-methylpyrrolidine?
The InChIKey is LCLUGTNZNRSTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrF3N/c1-6-3-2-4-13(6)5-7(9)8(10,11)12/h6-7H,2-5H2,1H3.
What are the key properties of 1-(2-bromo-3,3,3-trifluoropropyl)-2-methylpyrrolidine?
1-(2-bromo-3,3,3-trifluoropropyl)-2-methylpyrrolidine has a molecular weight of 260.10 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3,3,3-trifluoropropyl)-2-methylpyrrolidine is sourced from PubChem (CID 64758733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).