3-fluoropyrrol-1-amine

C4H5FN2 — CID 123188332

IUPAC3-fluoropyrrol-1-amine
SMILESNn1ccc(F)c1
InChIInChI=1S/C4H5FN2/c5-4-1-2-7(6)3-4/h1-3H,6H2
InChIKeyBSAVGNQPKNLXJN-UHFFFAOYSA-N
MW100.10 g/mol
LogP0.34
Rot. Bonds

About 3-fluoropyrrol-1-amine

3-fluoropyrrol-1-amine (PubChem CID 123188332) has the molecular formula C4H5FN2 and a molecular weight of 100.10 g/mol. Its IUPAC name is 3-fluoropyrrol-1-amine.

Molecular Properties

Compound Name3-fluoropyrrol-1-amine
PubChem CID123188332
Molecular FormulaC4H5FN2
Molecular Weight100.10 g/mol
Exact Mass100.04
IUPAC Name3-fluoropyrrol-1-amine
SMILESNn1ccc(F)c1
InChIInChI=1S/C4H5FN2/c5-4-1-2-7(6)3-4/h1-3H,6H2
InChIKeyBSAVGNQPKNLXJN-UHFFFAOYSA-N
XLogP0.34
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.10
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoropyrrol-1-amine?
The IUPAC name of 3-fluoropyrrol-1-amine (CID 123188332) is 3-fluoropyrrol-1-amine.
What is the SMILES notation for 3-fluoropyrrol-1-amine?
The canonical SMILES for 3-fluoropyrrol-1-amine is Nn1ccc(F)c1.
What is the InChIKey of 3-fluoropyrrol-1-amine?
The InChIKey is BSAVGNQPKNLXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FN2/c5-4-1-2-7(6)3-4/h1-3H,6H2.
What are the key properties of 3-fluoropyrrol-1-amine?
3-fluoropyrrol-1-amine has a molecular weight of 100.10 g/mol, XLogP of 0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropyrrol-1-amine is sourced from PubChem (CID 123188332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).