3-fluoro-5-propan-2-yl-2,3-dihydro-1H-pyrrole

C7H12FN — CID 174532269

IUPAC3-fluoro-5-propan-2-yl-2,3-dihydro-1H-pyrrole
SMILESCC(C)C1=CC(F)CN1
InChIInChI=1S/C7H12FN/c1-5(2)7-3-6(8)4-9-7/h3,5-6,9H,4H2,1-2H3
InChIKeyLJPXEGDKSBYGGX-UHFFFAOYSA-N
MW129.18 g/mol
LogP1.47
Rot. Bonds1

About 3-fluoro-5-propan-2-yl-2,3-dihydro-1H-pyrrole

3-fluoro-5-propan-2-yl-2,3-dihydro-1H-pyrrole (PubChem CID 174532269) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is 3-fluoro-5-propan-2-yl-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name3-fluoro-5-propan-2-yl-2,3-dihydro-1H-pyrrole
PubChem CID174532269
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name3-fluoro-5-propan-2-yl-2,3-dihydro-1H-pyrrole
SMILESCC(C)C1=CC(F)CN1
InChIInChI=1S/C7H12FN/c1-5(2)7-3-6(8)4-9-7/h3,5-6,9H,4H2,1-2H3
InChIKeyLJPXEGDKSBYGGX-UHFFFAOYSA-N
XLogP1.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-fluoro-5-propan-2-yl-2,3-dihydro-1H-pyrrole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-propan-2-yl-2,3-dihydro-1H-pyrrole?
The IUPAC name of 3-fluoro-5-propan-2-yl-2,3-dihydro-1H-pyrrole (CID 174532269) is 3-fluoro-5-propan-2-yl-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 3-fluoro-5-propan-2-yl-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 3-fluoro-5-propan-2-yl-2,3-dihydro-1H-pyrrole is CC(C)C1=CC(F)CN1.
What is the InChIKey of 3-fluoro-5-propan-2-yl-2,3-dihydro-1H-pyrrole?
The InChIKey is LJPXEGDKSBYGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN/c1-5(2)7-3-6(8)4-9-7/h3,5-6,9H,4H2,1-2H3.
What are the key properties of 3-fluoro-5-propan-2-yl-2,3-dihydro-1H-pyrrole?
3-fluoro-5-propan-2-yl-2,3-dihydro-1H-pyrrole has a molecular weight of 129.18 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-propan-2-yl-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 174532269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).