1-fluoropyrrole;hydrate

C4H6FNO — CID 141453066

IUPAC1-fluoropyrrole;hydrate
SMILESFn1cccc1.O
InChIInChI=1S/C4H4FN.H2O/c5-6-3-1-2-4-6;/h1-4H;1H2
InChIKeyWBAHBDGVXSXGOD-UHFFFAOYSA-N
MW103.10 g/mol
LogP0.40
Rot. Bonds

About 1-fluoropyrrole;hydrate

1-fluoropyrrole;hydrate (PubChem CID 141453066) has the molecular formula C4H6FNO and a molecular weight of 103.10 g/mol. Its IUPAC name is 1-fluoropyrrole;hydrate.

Molecular Properties

Compound Name1-fluoropyrrole;hydrate
PubChem CID141453066
Molecular FormulaC4H6FNO
Molecular Weight103.10 g/mol
Exact Mass103.04
IUPAC Name1-fluoropyrrole;hydrate
SMILESFn1cccc1.O
InChIInChI=1S/C4H4FN.H2O/c5-6-3-1-2-4-6;/h1-4H;1H2
InChIKeyWBAHBDGVXSXGOD-UHFFFAOYSA-N
XLogP0.40
TPSA36.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.10
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoropyrrole;hydrate?
The IUPAC name of 1-fluoropyrrole;hydrate (CID 141453066) is 1-fluoropyrrole;hydrate.
What is the SMILES notation for 1-fluoropyrrole;hydrate?
The canonical SMILES for 1-fluoropyrrole;hydrate is Fn1cccc1.O.
What is the InChIKey of 1-fluoropyrrole;hydrate?
The InChIKey is WBAHBDGVXSXGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4FN.H2O/c5-6-3-1-2-4-6;/h1-4H;1H2.
What are the key properties of 1-fluoropyrrole;hydrate?
1-fluoropyrrole;hydrate has a molecular weight of 103.10 g/mol, XLogP of 0.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoropyrrole;hydrate is sourced from PubChem (CID 141453066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).