[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone

C11H17BrFNO — CID 131000762

IUPAC[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone
SMILESCC1CCN(C(=O)C2(C)CC2F)C1CBr
InChIInChI=1S/C11H17BrFNO/c1-7-3-4-14(8(7)6-12)10(15)11(2)5-9(11)13/h7-9H,3-6H2,1-2H3
InChIKeyJSUFAXLEHVJBPS-UHFFFAOYSA-N
MW278.17 g/mol
LogP2.37
Rot. Bonds2

About [2-(bromomethyl)-3-methylpyrrolidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone

[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone (PubChem CID 131000762) has the molecular formula C11H17BrFNO and a molecular weight of 278.17 g/mol. Its IUPAC name is [2-(bromomethyl)-3-methylpyrrolidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone.

Molecular Properties

Compound Name[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone
PubChem CID131000762
Molecular FormulaC11H17BrFNO
Molecular Weight278.17 g/mol
Exact Mass277.05
IUPAC Name[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone
SMILESCC1CCN(C(=O)C2(C)CC2F)C1CBr
InChIInChI=1S/C11H17BrFNO/c1-7-3-4-14(8(7)6-12)10(15)11(2)5-9(11)13/h7-9H,3-6H2,1-2H3
InChIKeyJSUFAXLEHVJBPS-UHFFFAOYSA-N
XLogP2.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.17
LogP ≤ 52.37
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 [2-(bromomethyl)-3-methylpyrrolidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone?
The IUPAC name of [2-(bromomethyl)-3-methylpyrrolidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone (CID 131000762) is [2-(bromomethyl)-3-methylpyrrolidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone.
What is the SMILES notation for [2-(bromomethyl)-3-methylpyrrolidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone?
The canonical SMILES for [2-(bromomethyl)-3-methylpyrrolidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone is CC1CCN(C(=O)C2(C)CC2F)C1CBr.
What is the InChIKey of [2-(bromomethyl)-3-methylpyrrolidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone?
The InChIKey is JSUFAXLEHVJBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrFNO/c1-7-3-4-14(8(7)6-12)10(15)11(2)5-9(11)13/h7-9H,3-6H2,1-2H3.
What are the key properties of [2-(bromomethyl)-3-methylpyrrolidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone?
[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone has a molecular weight of 278.17 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(bromomethyl)-3-methylpyrrolidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone is sourced from PubChem (CID 131000762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).