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

C18H14F3NO — CID 102103260

IUPAC2,2,2-trifluoro-1-[5-(4-phenylphenyl)-1H-pyrrol-2-yl]ethanol
SMILESOC(c1ccc(-c2ccc(-c3ccccc3)cc2)[nH]1)C(F)(F)F
InChIInChI=1S/C18H14F3NO/c19-18(20,21)17(23)16-11-10-15(22-16)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11,17,22-23H
InChIKeyIRPFQDKRZUWKQL-UHFFFAOYSA-N
MW317.31 g/mol
LogP4.94
Rot. Bonds3

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

2,2,2-trifluoro-1-[5-(4-phenylphenyl)-1H-pyrrol-2-yl]ethanol (PubChem CID 102103260) has the molecular formula C18H14F3NO and a molecular weight of 317.31 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[5-(4-phenylphenyl)-1H-pyrrol-2-yl]ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[5-(4-phenylphenyl)-1H-pyrrol-2-yl]ethanol
PubChem CID102103260
Molecular FormulaC18H14F3NO
Molecular Weight317.31 g/mol
Exact Mass317.10
IUPAC Name2,2,2-trifluoro-1-[5-(4-phenylphenyl)-1H-pyrrol-2-yl]ethanol
SMILESOC(c1ccc(-c2ccc(-c3ccccc3)cc2)[nH]1)C(F)(F)F
InChIInChI=1S/C18H14F3NO/c19-18(20,21)17(23)16-11-10-15(22-16)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11,17,22-23H
InChIKeyIRPFQDKRZUWKQL-UHFFFAOYSA-N
XLogP4.94
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 54.94
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-phenylphenyl)-1H-pyrrol-2-yl]ethanol?
The IUPAC name of 2,2,2-trifluoro-1-[5-(4-phenylphenyl)-1H-pyrrol-2-yl]ethanol (CID 102103260) is 2,2,2-trifluoro-1-[5-(4-phenylphenyl)-1H-pyrrol-2-yl]ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-[5-(4-phenylphenyl)-1H-pyrrol-2-yl]ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-[5-(4-phenylphenyl)-1H-pyrrol-2-yl]ethanol is OC(c1ccc(-c2ccc(-c3ccccc3)cc2)[nH]1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[5-(4-phenylphenyl)-1H-pyrrol-2-yl]ethanol?
The InChIKey is IRPFQDKRZUWKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3NO/c19-18(20,21)17(23)16-11-10-15(22-16)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11,17,22-23H.
What are the key properties of 2,2,2-trifluoro-1-[5-(4-phenylphenyl)-1H-pyrrol-2-yl]ethanol?
2,2,2-trifluoro-1-[5-(4-phenylphenyl)-1H-pyrrol-2-yl]ethanol has a molecular weight of 317.31 g/mol, XLogP of 4.94, 3 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-phenylphenyl)-1H-pyrrol-2-yl]ethanol is sourced from PubChem (CID 102103260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).