1-fluoropyrrol-3-amine

C4H5FN2 — CID 174719163

IUPAC1-fluoropyrrol-3-amine
SMILESNc1ccn(F)c1
InChIInChI=1S/C4H5FN2/c5-7-2-1-4(6)3-7/h1-3H,6H2
InChIKeyWBIKEPJBWLLEND-UHFFFAOYSA-N
MW100.10 g/mol
LogP0.80
Rot. Bonds

About 1-fluoropyrrol-3-amine

1-fluoropyrrol-3-amine (PubChem CID 174719163) has the molecular formula C4H5FN2 and a molecular weight of 100.10 g/mol. Its IUPAC name is 1-fluoropyrrol-3-amine.

Molecular Properties

Compound Name1-fluoropyrrol-3-amine
PubChem CID174719163
Molecular FormulaC4H5FN2
Molecular Weight100.10 g/mol
Exact Mass100.04
IUPAC Name1-fluoropyrrol-3-amine
SMILESNc1ccn(F)c1
InChIInChI=1S/C4H5FN2/c5-7-2-1-4(6)3-7/h1-3H,6H2
InChIKeyWBIKEPJBWLLEND-UHFFFAOYSA-N
XLogP0.80
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 ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-fluoropyrrol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1H-pyrrol-1-yl)ethan-1-amine
CID 2763816
N-fluoropyrrole
CID 18537699
N-(1-Methyl-1H-pyrrol-3-yl)acetamide
CID 12674382
1-methanesulfonyl-1H-pyrrol-3-amine hydrochloride
CID 146153248
1H-pyrrol-3-amine
CID 10129890
1-Methyl-1H-pyrrol-3-amine
CID 12532405
1-(1H-pyrrol-3-yl)pyrrole
CID 21936755
1-(Pyrrol-3-yl)piperidine
CID 23225278
(1,2-Azol-3-yl)urea
CID 68657672
1-methanesulfonyl-1H-pyrrol-3-amine
CID 18624105
N-(2,2,2-trifluoroethyl)-1H-pyrrol-3-amine
CID 115257657
N-ethyl-5-fluoro-1-methylpyrrol-3-amine
CID 123146130

Frequently Asked Questions

What is the IUPAC name of 1-fluoropyrrol-3-amine?
The IUPAC name of 1-fluoropyrrol-3-amine (CID 174719163) is 1-fluoropyrrol-3-amine.
What is the SMILES notation for 1-fluoropyrrol-3-amine?
The canonical SMILES for 1-fluoropyrrol-3-amine is Nc1ccn(F)c1.
What is the InChIKey of 1-fluoropyrrol-3-amine?
The InChIKey is WBIKEPJBWLLEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FN2/c5-7-2-1-4(6)3-7/h1-3H,6H2.
What are the key properties of 1-fluoropyrrol-3-amine?
1-fluoropyrrol-3-amine has a molecular weight of 100.10 g/mol, XLogP of 0.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoropyrrol-3-amine is sourced from PubChem (CID 174719163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).