1-fluoropyrrole

C4H4FN — CID 18537699

IUPAC1-fluoropyrrole
SMILESFn1cccc1
InChIInChI=1S/C4H4FN/c5-6-3-1-2-4-6/h1-4H
InChIKeyPBHWPIJZSZDIED-UHFFFAOYSA-N
MW85.08 g/mol
LogP1.22
Rot. Bonds

About 1-fluoropyrrole

1-fluoropyrrole (PubChem CID 18537699) has the molecular formula C4H4FN and a molecular weight of 85.08 g/mol. Its IUPAC name is 1-fluoropyrrole.

Molecular Properties

Compound Name1-fluoropyrrole
PubChem CID18537699
Molecular FormulaC4H4FN
Molecular Weight85.08 g/mol
Exact Mass85.03
IUPAC Name1-fluoropyrrole
SMILESFn1cccc1
InChIInChI=1S/C4H4FN/c5-6-3-1-2-4-6/h1-4H
InChIKeyPBHWPIJZSZDIED-UHFFFAOYSA-N
XLogP1.22
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.08
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoropyrrole?
The IUPAC name of 1-fluoropyrrole (CID 18537699) is 1-fluoropyrrole.
What is the SMILES notation for 1-fluoropyrrole?
The canonical SMILES for 1-fluoropyrrole is Fn1cccc1.
What is the InChIKey of 1-fluoropyrrole?
The InChIKey is PBHWPIJZSZDIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4FN/c5-6-3-1-2-4-6/h1-4H.
What are the key properties of 1-fluoropyrrole?
1-fluoropyrrole has a molecular weight of 85.08 g/mol, XLogP of 1.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoropyrrole is sourced from PubChem (CID 18537699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).