2-(difluoromethyl)-3H-pyrrole

C5H5F2N — CID 125363223

IUPAC2-(difluoromethyl)-3H-pyrrole
SMILESFC(F)C1=NC=CC1
InChIInChI=1S/C5H5F2N/c6-5(7)4-2-1-3-8-4/h1,3,5H,2H2
InChIKeyGOAWMUHTCGJNMS-UHFFFAOYSA-N
MW117.10 g/mol
LogP1.61
Rot. Bonds1

About 2-(difluoromethyl)-3H-pyrrole

2-(difluoromethyl)-3H-pyrrole (PubChem CID 125363223) has the molecular formula C5H5F2N and a molecular weight of 117.10 g/mol. Its IUPAC name is 2-(difluoromethyl)-3H-pyrrole.

Molecular Properties

Compound Name2-(difluoromethyl)-3H-pyrrole
PubChem CID125363223
Molecular FormulaC5H5F2N
Molecular Weight117.10 g/mol
Exact Mass117.04
IUPAC Name2-(difluoromethyl)-3H-pyrrole
SMILESFC(F)C1=NC=CC1
InChIInChI=1S/C5H5F2N/c6-5(7)4-2-1-3-8-4/h1,3,5H,2H2
InChIKeyGOAWMUHTCGJNMS-UHFFFAOYSA-N
XLogP1.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.10
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3H-pyrrole?
The IUPAC name of 2-(difluoromethyl)-3H-pyrrole (CID 125363223) is 2-(difluoromethyl)-3H-pyrrole.
What is the SMILES notation for 2-(difluoromethyl)-3H-pyrrole?
The canonical SMILES for 2-(difluoromethyl)-3H-pyrrole is FC(F)C1=NC=CC1.
What is the InChIKey of 2-(difluoromethyl)-3H-pyrrole?
The InChIKey is GOAWMUHTCGJNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2N/c6-5(7)4-2-1-3-8-4/h1,3,5H,2H2.
What are the key properties of 2-(difluoromethyl)-3H-pyrrole?
2-(difluoromethyl)-3H-pyrrole has a molecular weight of 117.10 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-3H-pyrrole is sourced from PubChem (CID 125363223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).