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

C6H8FN — CID 70039699

IUPAC5-ethenyl-4-fluoro-3,4-dihydro-2H-pyrrole
SMILESC=CC1=NCCC1F
InChIInChI=1S/C6H8FN/c1-2-6-5(7)3-4-8-6/h2,5H,1,3-4H2
InChIKeyWOZYHWHTPMTZSZ-UHFFFAOYSA-N
MW113.14 g/mol
LogP1.36
Rot. Bonds1

About 5-ethenyl-4-fluoro-3,4-dihydro-2H-pyrrole

5-ethenyl-4-fluoro-3,4-dihydro-2H-pyrrole (PubChem CID 70039699) has the molecular formula C6H8FN and a molecular weight of 113.14 g/mol. Its IUPAC name is 5-ethenyl-4-fluoro-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-ethenyl-4-fluoro-3,4-dihydro-2H-pyrrole
PubChem CID70039699
Molecular FormulaC6H8FN
Molecular Weight113.14 g/mol
Exact Mass113.06
IUPAC Name5-ethenyl-4-fluoro-3,4-dihydro-2H-pyrrole
SMILESC=CC1=NCCC1F
InChIInChI=1S/C6H8FN/c1-2-6-5(7)3-4-8-6/h2,5H,1,3-4H2
InChIKeyWOZYHWHTPMTZSZ-UHFFFAOYSA-N
XLogP1.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.14
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-4-fluoro-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-ethenyl-4-fluoro-3,4-dihydro-2H-pyrrole (CID 70039699) is 5-ethenyl-4-fluoro-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-ethenyl-4-fluoro-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-ethenyl-4-fluoro-3,4-dihydro-2H-pyrrole is C=CC1=NCCC1F.
What is the InChIKey of 5-ethenyl-4-fluoro-3,4-dihydro-2H-pyrrole?
The InChIKey is WOZYHWHTPMTZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN/c1-2-6-5(7)3-4-8-6/h2,5H,1,3-4H2.
What are the key properties of 5-ethenyl-4-fluoro-3,4-dihydro-2H-pyrrole?
5-ethenyl-4-fluoro-3,4-dihydro-2H-pyrrole has a molecular weight of 113.14 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-4-fluoro-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 70039699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).