5-(difluoromethyl)-3H-pyrrole

C5H5F2N — CID 174763650

IUPAC5-(difluoromethyl)-3H-pyrrole
SMILESFC(F)C1=CCC=N1
InChIInChI=1S/C5H5F2N/c6-5(7)4-2-1-3-8-4/h2-3,5H,1H2
InChIKeyHBKMRNNLXFKVIP-UHFFFAOYSA-N
MW117.10 g/mol
LogP1.61
Rot. Bonds1

About 5-(difluoromethyl)-3H-pyrrole

5-(difluoromethyl)-3H-pyrrole (PubChem CID 174763650) has the molecular formula C5H5F2N and a molecular weight of 117.10 g/mol. Its IUPAC name is 5-(difluoromethyl)-3H-pyrrole.

Molecular Properties

Compound Name5-(difluoromethyl)-3H-pyrrole
PubChem CID174763650
Molecular FormulaC5H5F2N
Molecular Weight117.10 g/mol
Exact Mass117.04
IUPAC Name5-(difluoromethyl)-3H-pyrrole
SMILESFC(F)C1=CCC=N1
InChIInChI=1S/C5H5F2N/c6-5(7)4-2-1-3-8-4/h2-3,5H,1H2
InChIKeyHBKMRNNLXFKVIP-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 5-(difluoromethyl)-3H-pyrrole?
The IUPAC name of 5-(difluoromethyl)-3H-pyrrole (CID 174763650) is 5-(difluoromethyl)-3H-pyrrole.
What is the SMILES notation for 5-(difluoromethyl)-3H-pyrrole?
The canonical SMILES for 5-(difluoromethyl)-3H-pyrrole is FC(F)C1=CCC=N1.
What is the InChIKey of 5-(difluoromethyl)-3H-pyrrole?
The InChIKey is HBKMRNNLXFKVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2N/c6-5(7)4-2-1-3-8-4/h2-3,5H,1H2.
What are the key properties of 5-(difluoromethyl)-3H-pyrrole?
5-(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 5-(difluoromethyl)-3H-pyrrole is sourced from PubChem (CID 174763650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).