2-(4-fluorophenyl)-2-(1H-pyrrol-2-yl)ethanol

C12H12FNO — CID 57259361

IUPAC2-(4-fluorophenyl)-2-(1H-pyrrol-2-yl)ethanol
SMILESOCC(c1ccc(F)cc1)c1ccc[nH]1
InChIInChI=1S/C12H12FNO/c13-10-5-3-9(4-6-10)11(8-15)12-2-1-7-14-12/h1-7,11,14-15H,8H2
InChIKeyYMKVTSKKZKZWJQ-UHFFFAOYSA-N
MW205.23 g/mol
LogP2.28
Rot. Bonds3

About 2-(4-fluorophenyl)-2-(1H-pyrrol-2-yl)ethanol

2-(4-fluorophenyl)-2-(1H-pyrrol-2-yl)ethanol (PubChem CID 57259361) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-(1H-pyrrol-2-yl)ethanol.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-(1H-pyrrol-2-yl)ethanol
PubChem CID57259361
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name2-(4-fluorophenyl)-2-(1H-pyrrol-2-yl)ethanol
SMILESOCC(c1ccc(F)cc1)c1ccc[nH]1
InChIInChI=1S/C12H12FNO/c13-10-5-3-9(4-6-10)11(8-15)12-2-1-7-14-12/h1-7,11,14-15H,8H2
InChIKeyYMKVTSKKZKZWJQ-UHFFFAOYSA-N
XLogP2.28
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-(1H-pyrrol-2-yl)ethanol?
The IUPAC name of 2-(4-fluorophenyl)-2-(1H-pyrrol-2-yl)ethanol (CID 57259361) is 2-(4-fluorophenyl)-2-(1H-pyrrol-2-yl)ethanol.
What is the SMILES notation for 2-(4-fluorophenyl)-2-(1H-pyrrol-2-yl)ethanol?
The canonical SMILES for 2-(4-fluorophenyl)-2-(1H-pyrrol-2-yl)ethanol is OCC(c1ccc(F)cc1)c1ccc[nH]1.
What is the InChIKey of 2-(4-fluorophenyl)-2-(1H-pyrrol-2-yl)ethanol?
The InChIKey is YMKVTSKKZKZWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO/c13-10-5-3-9(4-6-10)11(8-15)12-2-1-7-14-12/h1-7,11,14-15H,8H2.
What are the key properties of 2-(4-fluorophenyl)-2-(1H-pyrrol-2-yl)ethanol?
2-(4-fluorophenyl)-2-(1H-pyrrol-2-yl)ethanol has a molecular weight of 205.23 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-(1H-pyrrol-2-yl)ethanol is sourced from PubChem (CID 57259361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).