3,3-difluoro-1,2-dihydropyrrole

C4H5F2N — CID 23512201

IUPAC3,3-difluoro-1,2-dihydropyrrole
SMILESFC1(F)C=CNC1
InChIInChI=1S/C4H5F2N/c5-4(6)1-2-7-3-4/h1-2,7H,3H2
InChIKeyHFOQCPSFUONAST-UHFFFAOYSA-N
MW105.09 g/mol
LogP0.74
Rot. Bonds

About 3,3-difluoro-1,2-dihydropyrrole

3,3-difluoro-1,2-dihydropyrrole (PubChem CID 23512201) has the molecular formula C4H5F2N and a molecular weight of 105.09 g/mol. Its IUPAC name is 3,3-difluoro-1,2-dihydropyrrole.

Molecular Properties

Compound Name3,3-difluoro-1,2-dihydropyrrole
PubChem CID23512201
Molecular FormulaC4H5F2N
Molecular Weight105.09 g/mol
Exact Mass105.04
IUPAC Name3,3-difluoro-1,2-dihydropyrrole
SMILESFC1(F)C=CNC1
InChIInChI=1S/C4H5F2N/c5-4(6)1-2-7-3-4/h1-2,7H,3H2
InChIKeyHFOQCPSFUONAST-UHFFFAOYSA-N
XLogP0.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.09
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1,2-dihydropyrrole?
The IUPAC name of 3,3-difluoro-1,2-dihydropyrrole (CID 23512201) is 3,3-difluoro-1,2-dihydropyrrole.
What is the SMILES notation for 3,3-difluoro-1,2-dihydropyrrole?
The canonical SMILES for 3,3-difluoro-1,2-dihydropyrrole is FC1(F)C=CNC1.
What is the InChIKey of 3,3-difluoro-1,2-dihydropyrrole?
The InChIKey is HFOQCPSFUONAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F2N/c5-4(6)1-2-7-3-4/h1-2,7H,3H2.
What are the key properties of 3,3-difluoro-1,2-dihydropyrrole?
3,3-difluoro-1,2-dihydropyrrole has a molecular weight of 105.09 g/mol, XLogP of 0.74, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1,2-dihydropyrrole is sourced from PubChem (CID 23512201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).