2,2,2-trifluoro-1-[5-(4-methylphenyl)-1H-pyrrol-2-yl]ethanol

C13H12F3NO — CID 102103257

IUPAC2,2,2-trifluoro-1-[5-(4-methylphenyl)-1H-pyrrol-2-yl]ethanol
SMILESCc1ccc(-c2ccc(C(O)C(F)(F)F)[nH]2)cc1
InChIInChI=1S/C13H12F3NO/c1-8-2-4-9(5-3-8)10-6-7-11(17-10)12(18)13(14,15)16/h2-7,12,17-18H,1H3
InChIKeyLQPJVKLNIPXALB-UHFFFAOYSA-N
MW255.24 g/mol
LogP3.59
Rot. Bonds2

About 2,2,2-trifluoro-1-[5-(4-methylphenyl)-1H-pyrrol-2-yl]ethanol

2,2,2-trifluoro-1-[5-(4-methylphenyl)-1H-pyrrol-2-yl]ethanol (PubChem CID 102103257) has the molecular formula C13H12F3NO and a molecular weight of 255.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[5-(4-methylphenyl)-1H-pyrrol-2-yl]ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[5-(4-methylphenyl)-1H-pyrrol-2-yl]ethanol
PubChem CID102103257
Molecular FormulaC13H12F3NO
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC Name2,2,2-trifluoro-1-[5-(4-methylphenyl)-1H-pyrrol-2-yl]ethanol
SMILESCc1ccc(-c2ccc(C(O)C(F)(F)F)[nH]2)cc1
InChIInChI=1S/C13H12F3NO/c1-8-2-4-9(5-3-8)10-6-7-11(17-10)12(18)13(14,15)16/h2-7,12,17-18H,1H3
InChIKeyLQPJVKLNIPXALB-UHFFFAOYSA-N
XLogP3.59
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[5-(4-methylphenyl)-1H-pyrrol-2-yl]ethanol?
The IUPAC name of 2,2,2-trifluoro-1-[5-(4-methylphenyl)-1H-pyrrol-2-yl]ethanol (CID 102103257) is 2,2,2-trifluoro-1-[5-(4-methylphenyl)-1H-pyrrol-2-yl]ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-[5-(4-methylphenyl)-1H-pyrrol-2-yl]ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-[5-(4-methylphenyl)-1H-pyrrol-2-yl]ethanol is Cc1ccc(-c2ccc(C(O)C(F)(F)F)[nH]2)cc1.
What is the InChIKey of 2,2,2-trifluoro-1-[5-(4-methylphenyl)-1H-pyrrol-2-yl]ethanol?
The InChIKey is LQPJVKLNIPXALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO/c1-8-2-4-9(5-3-8)10-6-7-11(17-10)12(18)13(14,15)16/h2-7,12,17-18H,1H3.
What are the key properties of 2,2,2-trifluoro-1-[5-(4-methylphenyl)-1H-pyrrol-2-yl]ethanol?
2,2,2-trifluoro-1-[5-(4-methylphenyl)-1H-pyrrol-2-yl]ethanol has a molecular weight of 255.24 g/mol, XLogP of 3.59, 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-(4-methylphenyl)-1H-pyrrol-2-yl]ethanol is sourced from PubChem (CID 102103257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).