1-(2-bromoprop-2-enyl)-3-fluoropyrrolidine-3-carbonitrile

C8H10BrFN2 — CID 130979395

IUPAC1-(2-bromoprop-2-enyl)-3-fluoropyrrolidine-3-carbonitrile
SMILESC=C(Br)CN1CCC(F)(C#N)C1
InChIInChI=1S/C8H10BrFN2/c1-7(9)4-12-3-2-8(10,5-11)6-12/h1-4,6H2
InChIKeyQABMWMRWNNFXFI-UHFFFAOYSA-N
MW233.08 g/mol
LogP1.83
Rot. Bonds2

About 1-(2-bromoprop-2-enyl)-3-fluoropyrrolidine-3-carbonitrile

1-(2-bromoprop-2-enyl)-3-fluoropyrrolidine-3-carbonitrile (PubChem CID 130979395) has the molecular formula C8H10BrFN2 and a molecular weight of 233.08 g/mol. Its IUPAC name is 1-(2-bromoprop-2-enyl)-3-fluoropyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name1-(2-bromoprop-2-enyl)-3-fluoropyrrolidine-3-carbonitrile
PubChem CID130979395
Molecular FormulaC8H10BrFN2
Molecular Weight233.08 g/mol
Exact Mass232.00
IUPAC Name1-(2-bromoprop-2-enyl)-3-fluoropyrrolidine-3-carbonitrile
SMILESC=C(Br)CN1CCC(F)(C#N)C1
InChIInChI=1S/C8H10BrFN2/c1-7(9)4-12-3-2-8(10,5-11)6-12/h1-4,6H2
InChIKeyQABMWMRWNNFXFI-UHFFFAOYSA-N
XLogP1.83
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.08
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoprop-2-enyl)-3-fluoropyrrolidine-3-carbonitrile?
The IUPAC name of 1-(2-bromoprop-2-enyl)-3-fluoropyrrolidine-3-carbonitrile (CID 130979395) is 1-(2-bromoprop-2-enyl)-3-fluoropyrrolidine-3-carbonitrile.
What is the SMILES notation for 1-(2-bromoprop-2-enyl)-3-fluoropyrrolidine-3-carbonitrile?
The canonical SMILES for 1-(2-bromoprop-2-enyl)-3-fluoropyrrolidine-3-carbonitrile is C=C(Br)CN1CCC(F)(C#N)C1.
What is the InChIKey of 1-(2-bromoprop-2-enyl)-3-fluoropyrrolidine-3-carbonitrile?
The InChIKey is QABMWMRWNNFXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrFN2/c1-7(9)4-12-3-2-8(10,5-11)6-12/h1-4,6H2.
What are the key properties of 1-(2-bromoprop-2-enyl)-3-fluoropyrrolidine-3-carbonitrile?
1-(2-bromoprop-2-enyl)-3-fluoropyrrolidine-3-carbonitrile has a molecular weight of 233.08 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoprop-2-enyl)-3-fluoropyrrolidine-3-carbonitrile is sourced from PubChem (CID 130979395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).