2-fluoropyrrol-1-amine

C4H5FN2 — CID 131969897

IUPAC2-fluoropyrrol-1-amine
SMILESNn1cccc1F
InChIInChI=1S/C4H5FN2/c5-4-2-1-3-7(4)6/h1-3H,6H2
InChIKeyVSIPYQRNITVSHM-UHFFFAOYSA-N
MW100.10 g/mol
LogP0.34
Rot. Bonds

About 2-fluoropyrrol-1-amine

2-fluoropyrrol-1-amine (PubChem CID 131969897) has the molecular formula C4H5FN2 and a molecular weight of 100.10 g/mol. Its IUPAC name is 2-fluoropyrrol-1-amine.

Molecular Properties

Compound Name2-fluoropyrrol-1-amine
PubChem CID131969897
Molecular FormulaC4H5FN2
Molecular Weight100.10 g/mol
Exact Mass100.04
IUPAC Name2-fluoropyrrol-1-amine
SMILESNn1cccc1F
InChIInChI=1S/C4H5FN2/c5-4-2-1-3-7(4)6/h1-3H,6H2
InChIKeyVSIPYQRNITVSHM-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 2-fluoropyrrol-1-amine?
The IUPAC name of 2-fluoropyrrol-1-amine (CID 131969897) is 2-fluoropyrrol-1-amine.
What is the SMILES notation for 2-fluoropyrrol-1-amine?
The canonical SMILES for 2-fluoropyrrol-1-amine is Nn1cccc1F.
What is the InChIKey of 2-fluoropyrrol-1-amine?
The InChIKey is VSIPYQRNITVSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FN2/c5-4-2-1-3-7(4)6/h1-3H,6H2.
What are the key properties of 2-fluoropyrrol-1-amine?
2-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 2-fluoropyrrol-1-amine is sourced from PubChem (CID 131969897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).