4-fluoro-1H-pyrrol-3-amine

C4H5FN2 — CID 141354922

IUPAC4-fluoro-1H-pyrrol-3-amine
SMILESNc1c[nH]cc1F
InChIInChI=1S/C4H5FN2/c5-3-1-7-2-4(3)6/h1-2,7H,6H2
InChIKeyIAFFWDMAWUTPGM-UHFFFAOYSA-N
MW100.10 g/mol
LogP0.74
Rot. Bonds

About 4-fluoro-1H-pyrrol-3-amine

4-fluoro-1H-pyrrol-3-amine (PubChem CID 141354922) has the molecular formula C4H5FN2 and a molecular weight of 100.10 g/mol. Its IUPAC name is 4-fluoro-1H-pyrrol-3-amine.

Molecular Properties

Compound Name4-fluoro-1H-pyrrol-3-amine
PubChem CID141354922
Molecular FormulaC4H5FN2
Molecular Weight100.10 g/mol
Exact Mass100.04
IUPAC Name4-fluoro-1H-pyrrol-3-amine
SMILESNc1c[nH]cc1F
InChIInChI=1S/C4H5FN2/c5-3-1-7-2-4(3)6/h1-2,7H,6H2
InChIKeyIAFFWDMAWUTPGM-UHFFFAOYSA-N
XLogP0.74
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.10
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 4-fluoro-1H-pyrrol-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

1H-pyrrol-3-amine
CID 10129890
3-Amino-4-cyanopyrrole
CID 15021647
Triaminoazole
CID 129813375
1-(2-fluoro-1H-pyrrol-3-yl)piperidine
CID 69114730
N-(2,2,2-trifluoroethyl)-1H-pyrrol-3-amine
CID 115257657
1-Methyl-4-(trifluoromethyl)pyrrol-3-amine
CID 117801500
N-ethyl-5-fluoro-1-methylpyrrol-3-amine
CID 123146130
1-fluoro-2-(1H-pyrrol-3-yl)hydrazine
CID 141144948
4-(fluoromethyl)-N-methyl-1H-pyrrol-3-amine
CID 141147018
N-(2,2-difluoroethyl)-1H-pyrrol-3-amine
CID 141191336
3-azido-4-fluoro-1H-pyrrole
CID 141432351
(3R)-1-(2-fluoro-1H-pyrrol-3-yl)piperidin-3-amine
CID 141482395

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1H-pyrrol-3-amine?
The IUPAC name of 4-fluoro-1H-pyrrol-3-amine (CID 141354922) is 4-fluoro-1H-pyrrol-3-amine.
What is the SMILES notation for 4-fluoro-1H-pyrrol-3-amine?
The canonical SMILES for 4-fluoro-1H-pyrrol-3-amine is Nc1c[nH]cc1F.
What is the InChIKey of 4-fluoro-1H-pyrrol-3-amine?
The InChIKey is IAFFWDMAWUTPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FN2/c5-3-1-7-2-4(3)6/h1-2,7H,6H2.
What are the key properties of 4-fluoro-1H-pyrrol-3-amine?
4-fluoro-1H-pyrrol-3-amine has a molecular weight of 100.10 g/mol, XLogP of 0.74, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1H-pyrrol-3-amine is sourced from PubChem (CID 141354922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).