2-[4,5-bis(4-fluorophenyl)-1H-pyrrol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C19H11F8NO — CID 12831594

IUPAC2-[4,5-bis(4-fluorophenyl)-1H-pyrrol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(c1cc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)[nH]1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C19H11F8NO/c20-12-5-1-10(2-6-12)14-9-15(17(29,18(22,23)24)19(25,26)27)28-16(14)11-3-7-13(21)8-4-11/h1-9,28-29H
InChIKeyKMWBRCNGXGLQTB-UHFFFAOYSA-N
MW421.29 g/mol
LogP5.94
Rot. Bonds3

About 2-[4,5-bis(4-fluorophenyl)-1H-pyrrol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[4,5-bis(4-fluorophenyl)-1H-pyrrol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 12831594) has the molecular formula C19H11F8NO and a molecular weight of 421.29 g/mol. Its IUPAC name is 2-[4,5-bis(4-fluorophenyl)-1H-pyrrol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[4,5-bis(4-fluorophenyl)-1H-pyrrol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID12831594
Molecular FormulaC19H11F8NO
Molecular Weight421.29 g/mol
Exact Mass421.07
IUPAC Name2-[4,5-bis(4-fluorophenyl)-1H-pyrrol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(c1cc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)[nH]1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C19H11F8NO/c20-12-5-1-10(2-6-12)14-9-15(17(29,18(22,23)24)19(25,26)27)28-16(14)11-3-7-13(21)8-4-11/h1-9,28-29H
InChIKeyKMWBRCNGXGLQTB-UHFFFAOYSA-N
XLogP5.94
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.29
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 2-[4,5-bis(4-fluorophenyl)-1H-pyrrol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol with MolForge

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Related Compounds

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CID 24818824
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CID 25058299
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(5-fluoro-1H-indol-2-yl)methanol
CID 69408498
1-(3-ethyl-6-(trifluoromethyl)-1H-indol-2-yl)cyclohexanol
CID 24793994
1-(3-ethyl-5-(trifluoromethyl)-1H-indol-2-yl)cyclohexanol
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Frequently Asked Questions

What is the IUPAC name of 2-[4,5-bis(4-fluorophenyl)-1H-pyrrol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[4,5-bis(4-fluorophenyl)-1H-pyrrol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 12831594) is 2-[4,5-bis(4-fluorophenyl)-1H-pyrrol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[4,5-bis(4-fluorophenyl)-1H-pyrrol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[4,5-bis(4-fluorophenyl)-1H-pyrrol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol is OC(c1cc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)[nH]1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[4,5-bis(4-fluorophenyl)-1H-pyrrol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is KMWBRCNGXGLQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F8NO/c20-12-5-1-10(2-6-12)14-9-15(17(29,18(22,23)24)19(25,26)27)28-16(14)11-3-7-13(21)8-4-11/h1-9,28-29H.
What are the key properties of 2-[4,5-bis(4-fluorophenyl)-1H-pyrrol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[4,5-bis(4-fluorophenyl)-1H-pyrrol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 421.29 g/mol, XLogP of 5.94, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-bis(4-fluorophenyl)-1H-pyrrol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 12831594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).