(3-bromo-4-ethylpyrrolidin-1-yl)-(2-fluoro-1-methylcyclopropyl)methanone

C11H17BrFNO — CID 131062488

IUPAC(3-bromo-4-ethylpyrrolidin-1-yl)-(2-fluoro-1-methylcyclopropyl)methanone
SMILESCCC1CN(C(=O)C2(C)CC2F)CC1Br
InChIInChI=1S/C11H17BrFNO/c1-3-7-5-14(6-8(7)12)10(15)11(2)4-9(11)13/h7-9H,3-6H2,1-2H3
InChIKeyMYQJZZOCBVESEH-UHFFFAOYSA-N
MW278.17 g/mol
LogP2.37
Rot. Bonds2

About (3-bromo-4-ethylpyrrolidin-1-yl)-(2-fluoro-1-methylcyclopropyl)methanone

(3-bromo-4-ethylpyrrolidin-1-yl)-(2-fluoro-1-methylcyclopropyl)methanone (PubChem CID 131062488) has the molecular formula C11H17BrFNO and a molecular weight of 278.17 g/mol. Its IUPAC name is (3-bromo-4-ethylpyrrolidin-1-yl)-(2-fluoro-1-methylcyclopropyl)methanone.

Molecular Properties

Compound Name(3-bromo-4-ethylpyrrolidin-1-yl)-(2-fluoro-1-methylcyclopropyl)methanone
PubChem CID131062488
Molecular FormulaC11H17BrFNO
Molecular Weight278.17 g/mol
Exact Mass277.05
IUPAC Name(3-bromo-4-ethylpyrrolidin-1-yl)-(2-fluoro-1-methylcyclopropyl)methanone
SMILESCCC1CN(C(=O)C2(C)CC2F)CC1Br
InChIInChI=1S/C11H17BrFNO/c1-3-7-5-14(6-8(7)12)10(15)11(2)4-9(11)13/h7-9H,3-6H2,1-2H3
InChIKeyMYQJZZOCBVESEH-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 (3-bromo-4-ethylpyrrolidin-1-yl)-(2-fluoro-1-methylcyclopropyl)methanone?
The IUPAC name of (3-bromo-4-ethylpyrrolidin-1-yl)-(2-fluoro-1-methylcyclopropyl)methanone (CID 131062488) is (3-bromo-4-ethylpyrrolidin-1-yl)-(2-fluoro-1-methylcyclopropyl)methanone.
What is the SMILES notation for (3-bromo-4-ethylpyrrolidin-1-yl)-(2-fluoro-1-methylcyclopropyl)methanone?
The canonical SMILES for (3-bromo-4-ethylpyrrolidin-1-yl)-(2-fluoro-1-methylcyclopropyl)methanone is CCC1CN(C(=O)C2(C)CC2F)CC1Br.
What is the InChIKey of (3-bromo-4-ethylpyrrolidin-1-yl)-(2-fluoro-1-methylcyclopropyl)methanone?
The InChIKey is MYQJZZOCBVESEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrFNO/c1-3-7-5-14(6-8(7)12)10(15)11(2)4-9(11)13/h7-9H,3-6H2,1-2H3.
What are the key properties of (3-bromo-4-ethylpyrrolidin-1-yl)-(2-fluoro-1-methylcyclopropyl)methanone?
(3-bromo-4-ethylpyrrolidin-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 (3-bromo-4-ethylpyrrolidin-1-yl)-(2-fluoro-1-methylcyclopropyl)methanone is sourced from PubChem (CID 131062488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).