2-[2-[1-phenyl-2-[3-(trifluoromethyl)phenyl]propan-2-yl]pyrrol-2-yl]ethanol

C22H22F3NO — CID 57262496

IUPAC2-[2-[1-phenyl-2-[3-(trifluoromethyl)phenyl]propan-2-yl]pyrrol-2-yl]ethanol
SMILESCC(Cc1ccccc1)(c1cccc(C(F)(F)F)c1)C1(CCO)C=CC=N1
InChIInChI=1S/C22H22F3NO/c1-20(16-17-7-3-2-4-8-17,21(12-14-27)11-6-13-26-21)18-9-5-10-19(15-18)22(23,24)25/h2-11,13,15,27H,12,14,16H2,1H3
InChIKeyCIAGNEGWFORHDR-UHFFFAOYSA-N
MW373.42 g/mol
LogP4.97
Rot. Bonds6

About 2-[2-[1-phenyl-2-[3-(trifluoromethyl)phenyl]propan-2-yl]pyrrol-2-yl]ethanol

2-[2-[1-phenyl-2-[3-(trifluoromethyl)phenyl]propan-2-yl]pyrrol-2-yl]ethanol (PubChem CID 57262496) has the molecular formula C22H22F3NO and a molecular weight of 373.42 g/mol. Its IUPAC name is 2-[2-[1-phenyl-2-[3-(trifluoromethyl)phenyl]propan-2-yl]pyrrol-2-yl]ethanol.

Molecular Properties

Compound Name2-[2-[1-phenyl-2-[3-(trifluoromethyl)phenyl]propan-2-yl]pyrrol-2-yl]ethanol
PubChem CID57262496
Molecular FormulaC22H22F3NO
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name2-[2-[1-phenyl-2-[3-(trifluoromethyl)phenyl]propan-2-yl]pyrrol-2-yl]ethanol
SMILESCC(Cc1ccccc1)(c1cccc(C(F)(F)F)c1)C1(CCO)C=CC=N1
InChIInChI=1S/C22H22F3NO/c1-20(16-17-7-3-2-4-8-17,21(12-14-27)11-6-13-26-21)18-9-5-10-19(15-18)22(23,24)25/h2-11,13,15,27H,12,14,16H2,1H3
InChIKeyCIAGNEGWFORHDR-UHFFFAOYSA-N
XLogP4.97
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[4-(4-Fluorophenyl)-2-methylbutan-2-yl]pyrrol-2-yl]ethanol
CID 57276886
2-[2-[6-[2-[(4-Fluorophenyl)methyl]pyrrol-2-yl]hexyl]pyrrol-2-yl]ethanol
CID 57306570
2-[(2-Benzylpyrrol-2-yl)methyl]-3,3,3-trifluoropropane-1,2-diol
CID 91481850
5-[(2,6-Dimethylphenyl)methylideneamino]-4-(2-fluoropropyl)-4-[4-(trifluoromethyl)phenyl]heptan-3-ol
CID 124013900
1-(2-Tritylimidazol-2-yl)propan-2-ol
CID 22563688
2-(2-Benzylpyrrol-2-yl)ethanol
CID 56995075
2-[2-(2-Methyl-4-phenylbutan-2-yl)pyrrol-2-yl]ethanol
CID 57069278
2-(2-Benzylpyrrol-2-yl)-6-methylcyclohexan-1-ol
CID 57111108
2-(2-Methylpyrrol-2-yl)-3-phenylpropan-1-ol
CID 57112217
4-[4-[(2-Pentylpyrrol-2-yl)methyl]phenyl]cyclohexan-1-ol
CID 57158642
(2S)-1-(2-tritylimidazol-2-yl)propan-2-ol
CID 67700682
2-[2-(3-Methylphenyl)pyrrol-2-yl]butan-1-ol
CID 91300209

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-phenyl-2-[3-(trifluoromethyl)phenyl]propan-2-yl]pyrrol-2-yl]ethanol?
The IUPAC name of 2-[2-[1-phenyl-2-[3-(trifluoromethyl)phenyl]propan-2-yl]pyrrol-2-yl]ethanol (CID 57262496) is 2-[2-[1-phenyl-2-[3-(trifluoromethyl)phenyl]propan-2-yl]pyrrol-2-yl]ethanol.
What is the SMILES notation for 2-[2-[1-phenyl-2-[3-(trifluoromethyl)phenyl]propan-2-yl]pyrrol-2-yl]ethanol?
The canonical SMILES for 2-[2-[1-phenyl-2-[3-(trifluoromethyl)phenyl]propan-2-yl]pyrrol-2-yl]ethanol is CC(Cc1ccccc1)(c1cccc(C(F)(F)F)c1)C1(CCO)C=CC=N1.
What is the InChIKey of 2-[2-[1-phenyl-2-[3-(trifluoromethyl)phenyl]propan-2-yl]pyrrol-2-yl]ethanol?
The InChIKey is CIAGNEGWFORHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3NO/c1-20(16-17-7-3-2-4-8-17,21(12-14-27)11-6-13-26-21)18-9-5-10-19(15-18)22(23,24)25/h2-11,13,15,27H,12,14,16H2,1H3.
What are the key properties of 2-[2-[1-phenyl-2-[3-(trifluoromethyl)phenyl]propan-2-yl]pyrrol-2-yl]ethanol?
2-[2-[1-phenyl-2-[3-(trifluoromethyl)phenyl]propan-2-yl]pyrrol-2-yl]ethanol has a molecular weight of 373.42 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-phenyl-2-[3-(trifluoromethyl)phenyl]propan-2-yl]pyrrol-2-yl]ethanol is sourced from PubChem (CID 57262496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).