2,3-dihydro-1H-pyrrole;dihydrofluoride

C4H9F2N — CID 175157824

IUPAC2,3-dihydro-1H-pyrrole;dihydrofluoride
SMILESC1=CNCC1.F.F
InChIInChI=1S/C4H7N.2FH/c1-2-4-5-3-1;;/h1,3,5H,2,4H2;2*1H
InChIKeyOBJVYAASBUCZMW-UHFFFAOYSA-N
MW109.12 g/mol
LogP0.80
Rot. Bonds

About 2,3-dihydro-1H-pyrrole;dihydrofluoride

2,3-dihydro-1H-pyrrole;dihydrofluoride (PubChem CID 175157824) has the molecular formula C4H9F2N and a molecular weight of 109.12 g/mol. Its IUPAC name is 2,3-dihydro-1H-pyrrole;dihydrofluoride.

Molecular Properties

Compound Name2,3-dihydro-1H-pyrrole;dihydrofluoride
PubChem CID175157824
Molecular FormulaC4H9F2N
Molecular Weight109.12 g/mol
Exact Mass109.07
IUPAC Name2,3-dihydro-1H-pyrrole;dihydrofluoride
SMILESC1=CNCC1.F.F
InChIInChI=1S/C4H7N.2FH/c1-2-4-5-3-1;;/h1,3,5H,2,4H2;2*1H
InChIKeyOBJVYAASBUCZMW-UHFFFAOYSA-N
XLogP0.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.12
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,3-dihydro-1H-pyrrole;dihydrofluoride 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 2,3-dihydro-1H-pyrrole;dihydrofluoride?
The IUPAC name of 2,3-dihydro-1H-pyrrole;dihydrofluoride (CID 175157824) is 2,3-dihydro-1H-pyrrole;dihydrofluoride.
What is the SMILES notation for 2,3-dihydro-1H-pyrrole;dihydrofluoride?
The canonical SMILES for 2,3-dihydro-1H-pyrrole;dihydrofluoride is C1=CNCC1.F.F.
What is the InChIKey of 2,3-dihydro-1H-pyrrole;dihydrofluoride?
The InChIKey is OBJVYAASBUCZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N.2FH/c1-2-4-5-3-1;;/h1,3,5H,2,4H2;2*1H.
What are the key properties of 2,3-dihydro-1H-pyrrole;dihydrofluoride?
2,3-dihydro-1H-pyrrole;dihydrofluoride has a molecular weight of 109.12 g/mol, XLogP of 0.80, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-pyrrole;dihydrofluoride is sourced from PubChem (CID 175157824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).