3,3-difluoropyrrole

C4H3F2N — CID 91281361

IUPAC3,3-difluoropyrrole
SMILESFC1(F)C=CN=C1
InChIInChI=1S/C4H3F2N/c5-4(6)1-2-7-3-4/h1-3H
InChIKeyYACOAXKLUZNRTM-UHFFFAOYSA-N
MW103.07 g/mol
LogP1.22
Rot. Bonds

About 3,3-difluoropyrrole

3,3-difluoropyrrole (PubChem CID 91281361) has the molecular formula C4H3F2N and a molecular weight of 103.07 g/mol. Its IUPAC name is 3,3-difluoropyrrole.

Molecular Properties

Compound Name3,3-difluoropyrrole
PubChem CID91281361
Molecular FormulaC4H3F2N
Molecular Weight103.07 g/mol
Exact Mass103.02
IUPAC Name3,3-difluoropyrrole
SMILESFC1(F)C=CN=C1
InChIInChI=1S/C4H3F2N/c5-4(6)1-2-7-3-4/h1-3H
InChIKeyYACOAXKLUZNRTM-UHFFFAOYSA-N
XLogP1.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.07
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoropyrrole?
The IUPAC name of 3,3-difluoropyrrole (CID 91281361) is 3,3-difluoropyrrole.
What is the SMILES notation for 3,3-difluoropyrrole?
The canonical SMILES for 3,3-difluoropyrrole is FC1(F)C=CN=C1.
What is the InChIKey of 3,3-difluoropyrrole?
The InChIKey is YACOAXKLUZNRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F2N/c5-4(6)1-2-7-3-4/h1-3H.
What are the key properties of 3,3-difluoropyrrole?
3,3-difluoropyrrole has a molecular weight of 103.07 g/mol, XLogP of 1.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoropyrrole is sourced from PubChem (CID 91281361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).