2,2,2-trifluoro-1-(5-phenyl-1H-pyrrol-2-yl)ethanol

C12H10F3NO — CID 3127243

IUPAC2,2,2-trifluoro-1-(5-phenyl-1H-pyrrol-2-yl)ethanol
SMILESOC(c1ccc(-c2ccccc2)[nH]1)C(F)(F)F
InChIInChI=1S/C12H10F3NO/c13-12(14,15)11(17)10-7-6-9(16-10)8-4-2-1-3-5-8/h1-7,11,16-17H
InChIKeyPTRZGKGPIMNGMZ-UHFFFAOYSA-N
MW241.21 g/mol
LogP3.28
Rot. Bonds2

About 2,2,2-trifluoro-1-(5-phenyl-1H-pyrrol-2-yl)ethanol

2,2,2-trifluoro-1-(5-phenyl-1H-pyrrol-2-yl)ethanol (PubChem CID 3127243) has the molecular formula C12H10F3NO and a molecular weight of 241.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(5-phenyl-1H-pyrrol-2-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(5-phenyl-1H-pyrrol-2-yl)ethanol
PubChem CID3127243
Molecular FormulaC12H10F3NO
Molecular Weight241.21 g/mol
Exact Mass241.07
IUPAC Name2,2,2-trifluoro-1-(5-phenyl-1H-pyrrol-2-yl)ethanol
SMILESOC(c1ccc(-c2ccccc2)[nH]1)C(F)(F)F
InChIInChI=1S/C12H10F3NO/c13-12(14,15)11(17)10-7-6-9(16-10)8-4-2-1-3-5-8/h1-7,11,16-17H
InChIKeyPTRZGKGPIMNGMZ-UHFFFAOYSA-N
XLogP3.28
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(1H-indol-2-yl)methanol
CID 98783
2-(3-methyl-6-(trifluoromethyl)-1H-indol-2-yl)propan-2-ol
CID 24792664
2-(3-methyl-5-(trifluoromethyl)-1H-indol-2-yl)propan-2-ol
CID 24818822
(1S)-1-[6-fluoranyl-2-[(1S)-1-oxidanylethyl]-1H-indol-3-yl]ethanol
CID 24818826
2-[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]butan-2-ol
CID 24820076
1-(1H-indol-2-yl)ethan-1-ol
CID 3326675
(5-fluoro-1H-indol-2-yl)methanol
CID 69408498
6-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-ol
CID 2876560
2,3,4,9-tetrahydro-1H-carbazol-1-ol
CID 3696767
1-(1-Ethyl-5-phenylpyrrol-2-yl)-2,2,2-trifluoroethan-1-ol
CID 3127242
1,1,1-trifluoro-2-(3-methyl-1H-indol-2-yl)propan-2-ol
CID 14786055
4-chloro-1-(1H-indol-2-yl)butan-1-ol
CID 44323258

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(5-phenyl-1H-pyrrol-2-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(5-phenyl-1H-pyrrol-2-yl)ethanol (CID 3127243) is 2,2,2-trifluoro-1-(5-phenyl-1H-pyrrol-2-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(5-phenyl-1H-pyrrol-2-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(5-phenyl-1H-pyrrol-2-yl)ethanol is OC(c1ccc(-c2ccccc2)[nH]1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(5-phenyl-1H-pyrrol-2-yl)ethanol?
The InChIKey is PTRZGKGPIMNGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO/c13-12(14,15)11(17)10-7-6-9(16-10)8-4-2-1-3-5-8/h1-7,11,16-17H.
What are the key properties of 2,2,2-trifluoro-1-(5-phenyl-1H-pyrrol-2-yl)ethanol?
2,2,2-trifluoro-1-(5-phenyl-1H-pyrrol-2-yl)ethanol has a molecular weight of 241.21 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(5-phenyl-1H-pyrrol-2-yl)ethanol is sourced from PubChem (CID 3127243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).