1-(difluoromethyl)pyrrole

C5H5F2N — CID 63810483

IUPAC1-(difluoromethyl)pyrrole
SMILESFC(F)n1cccc1
InChIInChI=1S/C5H5F2N/c6-5(7)8-3-1-2-4-8/h1-5H
InChIKeyBKROGCNVMBSGSJ-UHFFFAOYSA-N
MW117.10 g/mol
LogP1.88
Rot. Bonds1

About 1-(difluoromethyl)pyrrole

1-(difluoromethyl)pyrrole (PubChem CID 63810483) has the molecular formula C5H5F2N and a molecular weight of 117.10 g/mol. Its IUPAC name is 1-(difluoromethyl)pyrrole.

Molecular Properties

Compound Name1-(difluoromethyl)pyrrole
PubChem CID63810483
Molecular FormulaC5H5F2N
Molecular Weight117.10 g/mol
Exact Mass117.04
IUPAC Name1-(difluoromethyl)pyrrole
SMILESFC(F)n1cccc1
InChIInChI=1S/C5H5F2N/c6-5(7)8-3-1-2-4-8/h1-5H
InChIKeyBKROGCNVMBSGSJ-UHFFFAOYSA-N
XLogP1.88
TPSA4.93 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 ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)pyrrole?
The IUPAC name of 1-(difluoromethyl)pyrrole (CID 63810483) is 1-(difluoromethyl)pyrrole.
What is the SMILES notation for 1-(difluoromethyl)pyrrole?
The canonical SMILES for 1-(difluoromethyl)pyrrole is FC(F)n1cccc1.
What is the InChIKey of 1-(difluoromethyl)pyrrole?
The InChIKey is BKROGCNVMBSGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2N/c6-5(7)8-3-1-2-4-8/h1-5H.
What are the key properties of 1-(difluoromethyl)pyrrole?
1-(difluoromethyl)pyrrole has a molecular weight of 117.10 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)pyrrole is sourced from PubChem (CID 63810483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).