2-(1,1,2,2,3,3,3-heptafluoropropyl)-3,5-diphenyl-1H-pyrrole

C19H12F7N — CID 10596354

IUPAC2-(1,1,2,2,3,3,3-heptafluoropropyl)-3,5-diphenyl-1H-pyrrole
SMILESFC(F)(F)C(F)(F)C(F)(F)c1[nH]c(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C19H12F7N/c20-17(21,18(22,23)19(24,25)26)16-14(12-7-3-1-4-8-12)11-15(27-16)13-9-5-2-6-10-13/h1-11,27H
InChIKeyPVQCSKWOMMUXIK-UHFFFAOYSA-N
MW387.30 g/mol
LogP6.64
Rot. Bonds4

About 2-(1,1,2,2,3,3,3-heptafluoropropyl)-3,5-diphenyl-1H-pyrrole

2-(1,1,2,2,3,3,3-heptafluoropropyl)-3,5-diphenyl-1H-pyrrole (PubChem CID 10596354) has the molecular formula C19H12F7N and a molecular weight of 387.30 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3,3-heptafluoropropyl)-3,5-diphenyl-1H-pyrrole.

Molecular Properties

Compound Name2-(1,1,2,2,3,3,3-heptafluoropropyl)-3,5-diphenyl-1H-pyrrole
PubChem CID10596354
Molecular FormulaC19H12F7N
Molecular Weight387.30 g/mol
Exact Mass387.09
IUPAC Name2-(1,1,2,2,3,3,3-heptafluoropropyl)-3,5-diphenyl-1H-pyrrole
SMILESFC(F)(F)C(F)(F)C(F)(F)c1[nH]c(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C19H12F7N/c20-17(21,18(22,23)19(24,25)26)16-14(12-7-3-1-4-8-12)11-15(27-16)13-9-5-2-6-10-13/h1-11,27H
InChIKeyPVQCSKWOMMUXIK-UHFFFAOYSA-N
XLogP6.64
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.30
LogP ≤ 56.64
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 2-(1,1,2,2,3,3,3-heptafluoropropyl)-3,5-diphenyl-1H-pyrrole?
The IUPAC name of 2-(1,1,2,2,3,3,3-heptafluoropropyl)-3,5-diphenyl-1H-pyrrole (CID 10596354) is 2-(1,1,2,2,3,3,3-heptafluoropropyl)-3,5-diphenyl-1H-pyrrole.
What is the SMILES notation for 2-(1,1,2,2,3,3,3-heptafluoropropyl)-3,5-diphenyl-1H-pyrrole?
The canonical SMILES for 2-(1,1,2,2,3,3,3-heptafluoropropyl)-3,5-diphenyl-1H-pyrrole is FC(F)(F)C(F)(F)C(F)(F)c1[nH]c(-c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of 2-(1,1,2,2,3,3,3-heptafluoropropyl)-3,5-diphenyl-1H-pyrrole?
The InChIKey is PVQCSKWOMMUXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F7N/c20-17(21,18(22,23)19(24,25)26)16-14(12-7-3-1-4-8-12)11-15(27-16)13-9-5-2-6-10-13/h1-11,27H.
What are the key properties of 2-(1,1,2,2,3,3,3-heptafluoropropyl)-3,5-diphenyl-1H-pyrrole?
2-(1,1,2,2,3,3,3-heptafluoropropyl)-3,5-diphenyl-1H-pyrrole has a molecular weight of 387.30 g/mol, XLogP of 6.64, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,3,3,3-heptafluoropropyl)-3,5-diphenyl-1H-pyrrole is sourced from PubChem (CID 10596354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).