2-[3-(3,4-difluorophenyl)pyrrol-3-yl]ethanol

C12H11F2NO — CID 140991188

IUPAC2-[3-(3,4-difluorophenyl)pyrrol-3-yl]ethanol
SMILESOCCC1(c2ccc(F)c(F)c2)C=CN=C1
InChIInChI=1S/C12H11F2NO/c13-10-2-1-9(7-11(10)14)12(4-6-16)3-5-15-8-12/h1-3,5,7-8,16H,4,6H2
InChIKeyNDPCBRYSSWGVRJ-UHFFFAOYSA-N
MW223.22 g/mol
LogP2.18
Rot. Bonds3

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

2-[3-(3,4-difluorophenyl)pyrrol-3-yl]ethanol (PubChem CID 140991188) has the molecular formula C12H11F2NO and a molecular weight of 223.22 g/mol. Its IUPAC name is 2-[3-(3,4-difluorophenyl)pyrrol-3-yl]ethanol.

Molecular Properties

Compound Name2-[3-(3,4-difluorophenyl)pyrrol-3-yl]ethanol
PubChem CID140991188
Molecular FormulaC12H11F2NO
Molecular Weight223.22 g/mol
Exact Mass223.08
IUPAC Name2-[3-(3,4-difluorophenyl)pyrrol-3-yl]ethanol
SMILESOCCC1(c2ccc(F)c(F)c2)C=CN=C1
InChIInChI=1S/C12H11F2NO/c13-10-2-1-9(7-11(10)14)12(4-6-16)3-5-15-8-12/h1-3,5,7-8,16H,4,6H2
InChIKeyNDPCBRYSSWGVRJ-UHFFFAOYSA-N
XLogP2.18
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[6-fluoro-2-methyl-3-(4H-pyridin-3-ylidene)inden-1-yl]ethanol
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2-[3-(4-Fluorophenyl)pyrrol-3-yl]ethanol
CID 140989885
3-(3,4-Difluorophenyl)-6-imino-3-(2-iminoethyl)hexan-1-ol
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3-(2-Fluorophenyl)-5-imino-3-methylpentan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-difluorophenyl)pyrrol-3-yl]ethanol?
The IUPAC name of 2-[3-(3,4-difluorophenyl)pyrrol-3-yl]ethanol (CID 140991188) is 2-[3-(3,4-difluorophenyl)pyrrol-3-yl]ethanol.
What is the SMILES notation for 2-[3-(3,4-difluorophenyl)pyrrol-3-yl]ethanol?
The canonical SMILES for 2-[3-(3,4-difluorophenyl)pyrrol-3-yl]ethanol is OCCC1(c2ccc(F)c(F)c2)C=CN=C1.
What is the InChIKey of 2-[3-(3,4-difluorophenyl)pyrrol-3-yl]ethanol?
The InChIKey is NDPCBRYSSWGVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO/c13-10-2-1-9(7-11(10)14)12(4-6-16)3-5-15-8-12/h1-3,5,7-8,16H,4,6H2.
What are the key properties of 2-[3-(3,4-difluorophenyl)pyrrol-3-yl]ethanol?
2-[3-(3,4-difluorophenyl)pyrrol-3-yl]ethanol has a molecular weight of 223.22 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-difluorophenyl)pyrrol-3-yl]ethanol is sourced from PubChem (CID 140991188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).