2-[fluoro(oxiran-2-yl)methyl]-1H-pyrrole

C7H8FNO — CID 88621687

IUPAC2-[fluoro(oxiran-2-yl)methyl]-1H-pyrrole
SMILESFC(c1ccc[nH]1)C1CO1
InChIInChI=1S/C7H8FNO/c8-7(6-4-10-6)5-2-1-3-9-5/h1-3,6-7,9H,4H2
InChIKeyBLGIGJDMNKKOSO-UHFFFAOYSA-N
MW141.14 g/mol
LogP1.42
Rot. Bonds2

About 2-[fluoro(oxiran-2-yl)methyl]-1H-pyrrole

2-[fluoro(oxiran-2-yl)methyl]-1H-pyrrole (PubChem CID 88621687) has the molecular formula C7H8FNO and a molecular weight of 141.14 g/mol. Its IUPAC name is 2-[fluoro(oxiran-2-yl)methyl]-1H-pyrrole.

Molecular Properties

Compound Name2-[fluoro(oxiran-2-yl)methyl]-1H-pyrrole
PubChem CID88621687
Molecular FormulaC7H8FNO
Molecular Weight141.14 g/mol
Exact Mass141.06
IUPAC Name2-[fluoro(oxiran-2-yl)methyl]-1H-pyrrole
SMILESFC(c1ccc[nH]1)C1CO1
InChIInChI=1S/C7H8FNO/c8-7(6-4-10-6)5-2-1-3-9-5/h1-3,6-7,9H,4H2
InChIKeyBLGIGJDMNKKOSO-UHFFFAOYSA-N
XLogP1.42
TPSA28.32 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.14
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[fluoro(oxiran-2-yl)methyl]-1H-pyrrole?
The IUPAC name of 2-[fluoro(oxiran-2-yl)methyl]-1H-pyrrole (CID 88621687) is 2-[fluoro(oxiran-2-yl)methyl]-1H-pyrrole.
What is the SMILES notation for 2-[fluoro(oxiran-2-yl)methyl]-1H-pyrrole?
The canonical SMILES for 2-[fluoro(oxiran-2-yl)methyl]-1H-pyrrole is FC(c1ccc[nH]1)C1CO1.
What is the InChIKey of 2-[fluoro(oxiran-2-yl)methyl]-1H-pyrrole?
The InChIKey is BLGIGJDMNKKOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO/c8-7(6-4-10-6)5-2-1-3-9-5/h1-3,6-7,9H,4H2.
What are the key properties of 2-[fluoro(oxiran-2-yl)methyl]-1H-pyrrole?
2-[fluoro(oxiran-2-yl)methyl]-1H-pyrrole has a molecular weight of 141.14 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoro(oxiran-2-yl)methyl]-1H-pyrrole is sourced from PubChem (CID 88621687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).