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

C20H13F8NO — CID 13371350

IUPAC2-[4,5-bis(4-fluorophenyl)-1-methylpyrrol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCn1c(C(O)(C(F)(F)F)C(F)(F)F)cc(-c2ccc(F)cc2)c1-c1ccc(F)cc1
InChIInChI=1S/C20H13F8NO/c1-29-16(18(30,19(23,24)25)20(26,27)28)10-15(11-2-6-13(21)7-3-11)17(29)12-4-8-14(22)9-5-12/h2-10,30H,1H3
InChIKeyNFBZRZPXECOWED-UHFFFAOYSA-N
MW435.31 g/mol
LogP5.95
Rot. Bonds3

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

2-[4,5-bis(4-fluorophenyl)-1-methylpyrrol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 13371350) has the molecular formula C20H13F8NO and a molecular weight of 435.31 g/mol. Its IUPAC name is 2-[4,5-bis(4-fluorophenyl)-1-methylpyrrol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[4,5-bis(4-fluorophenyl)-1-methylpyrrol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID13371350
Molecular FormulaC20H13F8NO
Molecular Weight435.31 g/mol
Exact Mass435.09
IUPAC Name2-[4,5-bis(4-fluorophenyl)-1-methylpyrrol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCn1c(C(O)(C(F)(F)F)C(F)(F)F)cc(-c2ccc(F)cc2)c1-c1ccc(F)cc1
InChIInChI=1S/C20H13F8NO/c1-29-16(18(30,19(23,24)25)20(26,27)28)10-15(11-2-6-13(21)7-3-11)17(29)12-4-8-14(22)9-5-12/h2-10,30H,1H3
InChIKeyNFBZRZPXECOWED-UHFFFAOYSA-N
XLogP5.95
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.31
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2,5-Bis(4-hydroxyphenyl)-1-propylpyrrol-3-yl]-3-fluorophenol
CID 71450113
4-[3,5-Bis(4-hydroxyphenyl)-1-propylpyrrol-2-yl]-3-fluorophenol
CID 71453712
4-[4,5-Bis(4-hydroxyphenyl)-1-propylpyrrol-2-yl]-3-fluorophenol
CID 71457266
3-Fluoro-4-[5-(2-fluoro-4-hydroxyphenyl)-4-(4-hydroxyphenyl)-1-propylpyrrol-2-yl]phenol
CID 71459076
4-[4,5-Bis(2-fluoro-4-hydroxyphenyl)-1-propylpyrrol-2-yl]-3-fluorophenol
CID 71460882
4-[3,5-Bis(4-hydroxyphenyl)-1-methylpyrrol-2-yl]-3-fluorophenol
CID 71453711
3-Fluoro-4-[5-(2-fluoro-4-hydroxyphenyl)-4-(4-hydroxyphenyl)-1-methylpyrrol-2-yl]phenol
CID 71457268
4-[4,5-Bis(4-hydroxyphenyl)-1-methylpyrrol-2-yl]-3-fluorophenol
CID 71462585
1-(1-Ethyl-5-phenylpyrrol-2-yl)-2,2,2-trifluoroethan-1-ol
CID 3127242
5-(2,5-Dimethylpyrrolidin-1-yl)-1-phenyl-1-pyridin-2-ylpentan-1-ol
CID 44299121
Bis(4-fluorophenyl)-pyridin-2-ylmethanol
CID 102183289
2-(1-Methylindol-2-yl)propan-2-ol
CID 295645

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-bis(4-fluorophenyl)-1-methylpyrrol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[4,5-bis(4-fluorophenyl)-1-methylpyrrol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 13371350) is 2-[4,5-bis(4-fluorophenyl)-1-methylpyrrol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[4,5-bis(4-fluorophenyl)-1-methylpyrrol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[4,5-bis(4-fluorophenyl)-1-methylpyrrol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol is Cn1c(C(O)(C(F)(F)F)C(F)(F)F)cc(-c2ccc(F)cc2)c1-c1ccc(F)cc1.
What is the InChIKey of 2-[4,5-bis(4-fluorophenyl)-1-methylpyrrol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is NFBZRZPXECOWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F8NO/c1-29-16(18(30,19(23,24)25)20(26,27)28)10-15(11-2-6-13(21)7-3-11)17(29)12-4-8-14(22)9-5-12/h2-10,30H,1H3.
What are the key properties of 2-[4,5-bis(4-fluorophenyl)-1-methylpyrrol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[4,5-bis(4-fluorophenyl)-1-methylpyrrol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 435.31 g/mol, XLogP of 5.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-bis(4-fluorophenyl)-1-methylpyrrol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 13371350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).