2,3-bis(4-chlorophenyl)-5-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)pyrrole

C19H9Cl2F6N — CID 12831598

IUPAC2,3-bis(4-chlorophenyl)-5-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)pyrrole
SMILESFC(F)(F)C(=C1C=C(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)=N1)C(F)(F)F
InChIInChI=1S/C19H9Cl2F6N/c20-12-5-1-10(2-6-12)14-9-15(17(18(22,23)24)19(25,26)27)28-16(14)11-3-7-13(21)8-4-11/h1-9H
InChIKeyZARBXAGVHPLKIT-UHFFFAOYSA-N
MW436.18 g/mol
LogP7.26
Rot. Bonds2

About 2,3-bis(4-chlorophenyl)-5-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)pyrrole

2,3-bis(4-chlorophenyl)-5-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)pyrrole (PubChem CID 12831598) has the molecular formula C19H9Cl2F6N and a molecular weight of 436.18 g/mol. Its IUPAC name is 2,3-bis(4-chlorophenyl)-5-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)pyrrole.

Molecular Properties

Compound Name2,3-bis(4-chlorophenyl)-5-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)pyrrole
PubChem CID12831598
Molecular FormulaC19H9Cl2F6N
Molecular Weight436.18 g/mol
Exact Mass435.00
IUPAC Name2,3-bis(4-chlorophenyl)-5-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)pyrrole
SMILESFC(F)(F)C(=C1C=C(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)=N1)C(F)(F)F
InChIInChI=1S/C19H9Cl2F6N/c20-12-5-1-10(2-6-12)14-9-15(17(18(22,23)24)19(25,26)27)28-16(14)11-3-7-13(21)8-4-11/h1-9H
InChIKeyZARBXAGVHPLKIT-UHFFFAOYSA-N
XLogP7.26
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.18
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-chlorophenyl)-5-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)pyrrole?
The IUPAC name of 2,3-bis(4-chlorophenyl)-5-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)pyrrole (CID 12831598) is 2,3-bis(4-chlorophenyl)-5-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)pyrrole.
What is the SMILES notation for 2,3-bis(4-chlorophenyl)-5-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)pyrrole?
The canonical SMILES for 2,3-bis(4-chlorophenyl)-5-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)pyrrole is FC(F)(F)C(=C1C=C(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)=N1)C(F)(F)F.
What is the InChIKey of 2,3-bis(4-chlorophenyl)-5-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)pyrrole?
The InChIKey is ZARBXAGVHPLKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9Cl2F6N/c20-12-5-1-10(2-6-12)14-9-15(17(18(22,23)24)19(25,26)27)28-16(14)11-3-7-13(21)8-4-11/h1-9H.
What are the key properties of 2,3-bis(4-chlorophenyl)-5-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)pyrrole?
2,3-bis(4-chlorophenyl)-5-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)pyrrole has a molecular weight of 436.18 g/mol, XLogP of 7.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-chlorophenyl)-5-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)pyrrole is sourced from PubChem (CID 12831598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).