1-[2-(2-fluorophenyl)ethyl]-2,5-dimethylpyrrole

C14H16FN — CID 43510646

IUPAC1-[2-(2-fluorophenyl)ethyl]-2,5-dimethylpyrrole
SMILESCc1ccc(C)n1CCc1ccccc1F
InChIInChI=1S/C14H16FN/c1-11-7-8-12(2)16(11)10-9-13-5-3-4-6-14(13)15/h3-8H,9-10H2,1-2H3
InChIKeyZGMVTPIGYAVWEA-UHFFFAOYSA-N
MW217.29 g/mol
LogP3.49
Rot. Bonds3

About 1-[2-(2-fluorophenyl)ethyl]-2,5-dimethylpyrrole

1-[2-(2-fluorophenyl)ethyl]-2,5-dimethylpyrrole (PubChem CID 43510646) has the molecular formula C14H16FN and a molecular weight of 217.29 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)ethyl]-2,5-dimethylpyrrole.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)ethyl]-2,5-dimethylpyrrole
PubChem CID43510646
Molecular FormulaC14H16FN
Molecular Weight217.29 g/mol
Exact Mass217.13
IUPAC Name1-[2-(2-fluorophenyl)ethyl]-2,5-dimethylpyrrole
SMILESCc1ccc(C)n1CCc1ccccc1F
InChIInChI=1S/C14H16FN/c1-11-7-8-12(2)16(11)10-9-13-5-3-4-6-14(13)15/h3-8H,9-10H2,1-2H3
InChIKeyZGMVTPIGYAVWEA-UHFFFAOYSA-N
XLogP3.49
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-(2-fluorophenyl)ethyl]-1H-benzimidazole-2-thione
CID 29066010
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CID 43337044
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6-[2-(2-fluorophenyl)ethyl]-3-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indole
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1-[2-(2-fluorophenyl)ethyl]-N,4-dimethylimidazol-2-amine
CID 106557413
6-bromo-1-[2-(2-fluorophenyl)ethyl]benzimidazol-2-amine
CID 65347258
1-fluoro-2-[2-[2-(2-fluorophenyl)ethylsulfanyl]ethyl]benzene
CID 67503932
(2S)-4-(2-fluorophenyl)-N-methylbutan-2-amine
CID 93424532
1-fluoro-2-heptylbenzene
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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)ethyl]-2,5-dimethylpyrrole?
The IUPAC name of 1-[2-(2-fluorophenyl)ethyl]-2,5-dimethylpyrrole (CID 43510646) is 1-[2-(2-fluorophenyl)ethyl]-2,5-dimethylpyrrole.
What is the SMILES notation for 1-[2-(2-fluorophenyl)ethyl]-2,5-dimethylpyrrole?
The canonical SMILES for 1-[2-(2-fluorophenyl)ethyl]-2,5-dimethylpyrrole is Cc1ccc(C)n1CCc1ccccc1F.
What is the InChIKey of 1-[2-(2-fluorophenyl)ethyl]-2,5-dimethylpyrrole?
The InChIKey is ZGMVTPIGYAVWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN/c1-11-7-8-12(2)16(11)10-9-13-5-3-4-6-14(13)15/h3-8H,9-10H2,1-2H3.
What are the key properties of 1-[2-(2-fluorophenyl)ethyl]-2,5-dimethylpyrrole?
1-[2-(2-fluorophenyl)ethyl]-2,5-dimethylpyrrole has a molecular weight of 217.29 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)ethyl]-2,5-dimethylpyrrole is sourced from PubChem (CID 43510646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).