2-fluoro-1-methyl-4-thiophen-2-ylpyrrole

C9H8FNS — CID 175124499

IUPAC2-fluoro-1-methyl-4-thiophen-2-ylpyrrole
SMILESCn1cc(-c2cccs2)cc1F
InChIInChI=1S/C9H8FNS/c1-11-6-7(5-9(11)10)8-3-2-4-12-8/h2-6H,1H3
InChIKeyFINNGUSWHIQDGF-UHFFFAOYSA-N
MW181.23 g/mol
LogP2.89
Rot. Bonds1

About 2-fluoro-1-methyl-4-thiophen-2-ylpyrrole

2-fluoro-1-methyl-4-thiophen-2-ylpyrrole (PubChem CID 175124499) has the molecular formula C9H8FNS and a molecular weight of 181.23 g/mol. Its IUPAC name is 2-fluoro-1-methyl-4-thiophen-2-ylpyrrole.

Molecular Properties

Compound Name2-fluoro-1-methyl-4-thiophen-2-ylpyrrole
PubChem CID175124499
Molecular FormulaC9H8FNS
Molecular Weight181.23 g/mol
Exact Mass181.04
IUPAC Name2-fluoro-1-methyl-4-thiophen-2-ylpyrrole
SMILESCn1cc(-c2cccs2)cc1F
InChIInChI=1S/C9H8FNS/c1-11-6-7(5-9(11)10)8-3-2-4-12-8/h2-6H,1H3
InChIKeyFINNGUSWHIQDGF-UHFFFAOYSA-N
XLogP2.89
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-thiophen-2-ylpyrrole-2-carboxylic acid
CID 117001368
2-[3-(3,5-dithiophen-2-ylphenyl)-5-thiophen-2-ylphenyl]thiophene
CID 25194793
2-(3-fluorophenyl)thiophene
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9-methyl-2,7-dithiophen-2-ylcarbazole
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2-(3-fluoro-5-propan-2-ylphenyl)thiophene
CID 167222834
2,6-bis(methylsulfanyl)-4-thiophen-2-ylpyridine
CID 14202028
1-methyl-2-(3-thiophen-2-ylphenyl)imidazole
CID 59348191
ethane;2-(3-methylphenyl)thiophene
CID 143181554
2-(7-thiophen-2-ylnaphthalen-2-yl)thiophene
CID 824515
2-(3,5-dibromophenyl)thiophene
CID 19006176
2-[3-(trifluoromethoxy)phenyl]thiophene
CID 69382382
1-(2-fluoro-5-thiophen-2-ylphenyl)-N-methylmethanamine
CID 61104003

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methyl-4-thiophen-2-ylpyrrole?
The IUPAC name of 2-fluoro-1-methyl-4-thiophen-2-ylpyrrole (CID 175124499) is 2-fluoro-1-methyl-4-thiophen-2-ylpyrrole.
What is the SMILES notation for 2-fluoro-1-methyl-4-thiophen-2-ylpyrrole?
The canonical SMILES for 2-fluoro-1-methyl-4-thiophen-2-ylpyrrole is Cn1cc(-c2cccs2)cc1F.
What is the InChIKey of 2-fluoro-1-methyl-4-thiophen-2-ylpyrrole?
The InChIKey is FINNGUSWHIQDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNS/c1-11-6-7(5-9(11)10)8-3-2-4-12-8/h2-6H,1H3.
What are the key properties of 2-fluoro-1-methyl-4-thiophen-2-ylpyrrole?
2-fluoro-1-methyl-4-thiophen-2-ylpyrrole has a molecular weight of 181.23 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methyl-4-thiophen-2-ylpyrrole is sourced from PubChem (CID 175124499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).