3-fluoro-3,4-dihydro-2H-pyrrole

C4H6FN — CID 154058639

IUPAC3-fluoro-3,4-dihydro-2H-pyrrole
SMILESFC1CC=NC1
InChIInChI=1S/C4H6FN/c5-4-1-2-6-3-4/h2,4H,1,3H2
InChIKeySHXPSTPEAYPTOD-UHFFFAOYSA-N
MW87.10 g/mol
LogP0.80
Rot. Bonds

About 3-fluoro-3,4-dihydro-2H-pyrrole

3-fluoro-3,4-dihydro-2H-pyrrole (PubChem CID 154058639) has the molecular formula C4H6FN and a molecular weight of 87.10 g/mol. Its IUPAC name is 3-fluoro-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name3-fluoro-3,4-dihydro-2H-pyrrole
PubChem CID154058639
Molecular FormulaC4H6FN
Molecular Weight87.10 g/mol
Exact Mass87.05
IUPAC Name3-fluoro-3,4-dihydro-2H-pyrrole
SMILESFC1CC=NC1
InChIInChI=1S/C4H6FN/c5-4-1-2-6-3-4/h2,4H,1,3H2
InChIKeySHXPSTPEAYPTOD-UHFFFAOYSA-N
XLogP0.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.10
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3,4-dihydro-2H-pyrrole?
The IUPAC name of 3-fluoro-3,4-dihydro-2H-pyrrole (CID 154058639) is 3-fluoro-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 3-fluoro-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 3-fluoro-3,4-dihydro-2H-pyrrole is FC1CC=NC1.
What is the InChIKey of 3-fluoro-3,4-dihydro-2H-pyrrole?
The InChIKey is SHXPSTPEAYPTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FN/c5-4-1-2-6-3-4/h2,4H,1,3H2.
What are the key properties of 3-fluoro-3,4-dihydro-2H-pyrrole?
3-fluoro-3,4-dihydro-2H-pyrrole has a molecular weight of 87.10 g/mol, XLogP of 0.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 154058639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).