3-(difluoromethyl)-2-(1,1,2,2,2-pentafluoroethyl)-1H-pyrrole

C7H4F7N — CID 174951631

IUPAC3-(difluoromethyl)-2-(1,1,2,2,2-pentafluoroethyl)-1H-pyrrole
SMILESFC(F)c1cc[nH]c1C(F)(F)C(F)(F)F
InChIInChI=1S/C7H4F7N/c8-5(9)3-1-2-15-4(3)6(10,11)7(12,13)14/h1-2,5,15H
InChIKeyZQHNAVKASXYIIQ-UHFFFAOYSA-N
MW235.10 g/mol
LogP3.61
Rot. Bonds2

About 3-(difluoromethyl)-2-(1,1,2,2,2-pentafluoroethyl)-1H-pyrrole

3-(difluoromethyl)-2-(1,1,2,2,2-pentafluoroethyl)-1H-pyrrole (PubChem CID 174951631) has the molecular formula C7H4F7N and a molecular weight of 235.10 g/mol. Its IUPAC name is 3-(difluoromethyl)-2-(1,1,2,2,2-pentafluoroethyl)-1H-pyrrole.

Molecular Properties

Compound Name3-(difluoromethyl)-2-(1,1,2,2,2-pentafluoroethyl)-1H-pyrrole
PubChem CID174951631
Molecular FormulaC7H4F7N
Molecular Weight235.10 g/mol
Exact Mass235.02
IUPAC Name3-(difluoromethyl)-2-(1,1,2,2,2-pentafluoroethyl)-1H-pyrrole
SMILESFC(F)c1cc[nH]c1C(F)(F)C(F)(F)F
InChIInChI=1S/C7H4F7N/c8-5(9)3-1-2-15-4(3)6(10,11)7(12,13)14/h1-2,5,15H
InChIKeyZQHNAVKASXYIIQ-UHFFFAOYSA-N
XLogP3.61
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.10
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2-(1,1,2,2,2-pentafluoroethyl)-1H-pyrrole?
The IUPAC name of 3-(difluoromethyl)-2-(1,1,2,2,2-pentafluoroethyl)-1H-pyrrole (CID 174951631) is 3-(difluoromethyl)-2-(1,1,2,2,2-pentafluoroethyl)-1H-pyrrole.
What is the SMILES notation for 3-(difluoromethyl)-2-(1,1,2,2,2-pentafluoroethyl)-1H-pyrrole?
The canonical SMILES for 3-(difluoromethyl)-2-(1,1,2,2,2-pentafluoroethyl)-1H-pyrrole is FC(F)c1cc[nH]c1C(F)(F)C(F)(F)F.
What is the InChIKey of 3-(difluoromethyl)-2-(1,1,2,2,2-pentafluoroethyl)-1H-pyrrole?
The InChIKey is ZQHNAVKASXYIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F7N/c8-5(9)3-1-2-15-4(3)6(10,11)7(12,13)14/h1-2,5,15H.
What are the key properties of 3-(difluoromethyl)-2-(1,1,2,2,2-pentafluoroethyl)-1H-pyrrole?
3-(difluoromethyl)-2-(1,1,2,2,2-pentafluoroethyl)-1H-pyrrole has a molecular weight of 235.10 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-2-(1,1,2,2,2-pentafluoroethyl)-1H-pyrrole is sourced from PubChem (CID 174951631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).