2-[3-(4-fluorophenyl)pyrrol-3-yl]ethanol

C12H12FNO — CID 140989885

IUPAC2-[3-(4-fluorophenyl)pyrrol-3-yl]ethanol
SMILESOCCC1(c2ccc(F)cc2)C=CN=C1
InChIInChI=1S/C12H12FNO/c13-11-3-1-10(2-4-11)12(6-8-15)5-7-14-9-12/h1-5,7,9,15H,6,8H2
InChIKeyQDYSYXIAAFKPQQ-UHFFFAOYSA-N
MW205.23 g/mol
LogP2.04
Rot. Bonds3

About 2-[3-(4-fluorophenyl)pyrrol-3-yl]ethanol

2-[3-(4-fluorophenyl)pyrrol-3-yl]ethanol (PubChem CID 140989885) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)pyrrol-3-yl]ethanol.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)pyrrol-3-yl]ethanol
PubChem CID140989885
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name2-[3-(4-fluorophenyl)pyrrol-3-yl]ethanol
SMILESOCCC1(c2ccc(F)cc2)C=CN=C1
InChIInChI=1S/C12H12FNO/c13-11-3-1-10(2-4-11)12(6-8-15)5-7-14-9-12/h1-5,7,9,15H,6,8H2
InChIKeyQDYSYXIAAFKPQQ-UHFFFAOYSA-N
XLogP2.04
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3Z)-6-fluoro-2-methyl-3-(4H-pyridin-3-ylidene)inden-1-yl]ethanol
CID 18397659
2-[(3Z)-6-fluoro-2-methyl-3-(3H-pyridin-4-ylidene)inden-1-yl]ethanol
CID 18397661
2-[6-fluoro-2-methyl-3-(4H-pyridin-3-ylidene)inden-1-yl]ethanol
CID 54500766
2-[6-fluoro-2-methyl-3-(3H-pyridin-4-ylidene)inden-1-yl]ethanol
CID 57072897
2-[2-[4-(4-Fluorophenyl)-2-methylbutan-2-yl]pyrrol-2-yl]ethanol
CID 57276886
4-(Trifluoromethylphenyl)-4-pyridylmethanol
CID 68681813
[4-(4-Fluorophenyl)-2,3,4,5-tetrahydropyridin-3-yl]methanol
CID 70117167
2-[3-(3,4-Difluorophenyl)pyrrol-3-yl]ethanol
CID 140991188
3-(3,4-Difluorophenyl)-6-imino-3-(2-iminoethyl)hexan-1-ol
CID 145828612
3-(2-Fluorophenyl)-5-imino-3-methylpentan-1-ol
CID 174322160
2-(3-Phenylpyrrol-3-yl)ethanol
CID 140989894
3-(3-Phenylpyrrol-3-yl)butan-1-ol
CID 140991174

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)pyrrol-3-yl]ethanol?
The IUPAC name of 2-[3-(4-fluorophenyl)pyrrol-3-yl]ethanol (CID 140989885) is 2-[3-(4-fluorophenyl)pyrrol-3-yl]ethanol.
What is the SMILES notation for 2-[3-(4-fluorophenyl)pyrrol-3-yl]ethanol?
The canonical SMILES for 2-[3-(4-fluorophenyl)pyrrol-3-yl]ethanol is OCCC1(c2ccc(F)cc2)C=CN=C1.
What is the InChIKey of 2-[3-(4-fluorophenyl)pyrrol-3-yl]ethanol?
The InChIKey is QDYSYXIAAFKPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO/c13-11-3-1-10(2-4-11)12(6-8-15)5-7-14-9-12/h1-5,7,9,15H,6,8H2.
What are the key properties of 2-[3-(4-fluorophenyl)pyrrol-3-yl]ethanol?
2-[3-(4-fluorophenyl)pyrrol-3-yl]ethanol has a molecular weight of 205.23 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)pyrrol-3-yl]ethanol is sourced from PubChem (CID 140989885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).