1-[2-(2-fluorophenyl)-3H-pyrrol-4-yl]ethanol

C12H12FNO — CID 147898535

IUPAC1-[2-(2-fluorophenyl)-3H-pyrrol-4-yl]ethanol
SMILESCC(O)C1=CN=C(c2ccccc2F)C1
InChIInChI=1S/C12H12FNO/c1-8(15)9-6-12(14-7-9)10-4-2-3-5-11(10)13/h2-5,7-8,15H,6H2,1H3
InChIKeyIDUJXHHYPGFOIK-UHFFFAOYSA-N
MW205.23 g/mol
LogP2.28
Rot. Bonds2

About 1-[2-(2-fluorophenyl)-3H-pyrrol-4-yl]ethanol

1-[2-(2-fluorophenyl)-3H-pyrrol-4-yl]ethanol (PubChem CID 147898535) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)-3H-pyrrol-4-yl]ethanol.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)-3H-pyrrol-4-yl]ethanol
PubChem CID147898535
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name1-[2-(2-fluorophenyl)-3H-pyrrol-4-yl]ethanol
SMILESCC(O)C1=CN=C(c2ccccc2F)C1
InChIInChI=1S/C12H12FNO/c1-8(15)9-6-12(14-7-9)10-4-2-3-5-11(10)13/h2-5,7-8,15H,6H2,1H3
InChIKeyIDUJXHHYPGFOIK-UHFFFAOYSA-N
XLogP2.28
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ST026286
CID 3251128
(r,s)-3,3-Dimethyl-5-phenyl-3,4-dihydro-2h-pyrrol-2-ol
CID 14638033
[3-(4-Fluorophenyl)-4-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 19426816
[3-(4-Fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazol-4-yl]methanol
CID 19426822
[5-(cyclopentylidenemethylidene)-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-4H-pyridin-3-yl]methanol
CID 87418925
2-[(2R)-5-(4-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol
CID 142588463
2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol
CID 142588525
2-[(2R)-5-(2-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol
CID 142588584
methyl (NZ)-N-[1-(3-fluorophenyl)-3-hydroxybutylidene]carbamate
CID 143398446
(Z)-1-(4-fluorophenyl)-2-methyliminohex-3-en-1-ol
CID 145107690
[2-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-pyrrol-4-yl]methanol
CID 149025000
1-(4-Fluorophenyl)-1-methyliminopropan-2-ol
CID 149089454

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)-3H-pyrrol-4-yl]ethanol?
The IUPAC name of 1-[2-(2-fluorophenyl)-3H-pyrrol-4-yl]ethanol (CID 147898535) is 1-[2-(2-fluorophenyl)-3H-pyrrol-4-yl]ethanol.
What is the SMILES notation for 1-[2-(2-fluorophenyl)-3H-pyrrol-4-yl]ethanol?
The canonical SMILES for 1-[2-(2-fluorophenyl)-3H-pyrrol-4-yl]ethanol is CC(O)C1=CN=C(c2ccccc2F)C1.
What is the InChIKey of 1-[2-(2-fluorophenyl)-3H-pyrrol-4-yl]ethanol?
The InChIKey is IDUJXHHYPGFOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO/c1-8(15)9-6-12(14-7-9)10-4-2-3-5-11(10)13/h2-5,7-8,15H,6H2,1H3.
What are the key properties of 1-[2-(2-fluorophenyl)-3H-pyrrol-4-yl]ethanol?
1-[2-(2-fluorophenyl)-3H-pyrrol-4-yl]ethanol has a molecular weight of 205.23 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)-3H-pyrrol-4-yl]ethanol is sourced from PubChem (CID 147898535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).