[5-[2-(2-fluoroethoxy)ethyl]thiophen-2-yl]-(1H-pyrrol-2-yl)methanone

C13H14FNO2S — CID 175992480

IUPAC[5-[2-(2-fluoroethoxy)ethyl]thiophen-2-yl]-(1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc[nH]1)c1ccc(CCOCCF)s1
InChIInChI=1S/C13H14FNO2S/c14-6-9-17-8-5-10-3-4-12(18-10)13(16)11-2-1-7-15-11/h1-4,7,15H,5-6,8-9H2
InChIKeyFPKDXEHCKGMAEG-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.84
Rot. Bonds7

About [5-[2-(2-fluoroethoxy)ethyl]thiophen-2-yl]-(1H-pyrrol-2-yl)methanone

[5-[2-(2-fluoroethoxy)ethyl]thiophen-2-yl]-(1H-pyrrol-2-yl)methanone (PubChem CID 175992480) has the molecular formula C13H14FNO2S and a molecular weight of 267.32 g/mol. Its IUPAC name is [5-[2-(2-fluoroethoxy)ethyl]thiophen-2-yl]-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name[5-[2-(2-fluoroethoxy)ethyl]thiophen-2-yl]-(1H-pyrrol-2-yl)methanone
PubChem CID175992480
Molecular FormulaC13H14FNO2S
Molecular Weight267.32 g/mol
Exact Mass267.07
IUPAC Name[5-[2-(2-fluoroethoxy)ethyl]thiophen-2-yl]-(1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc[nH]1)c1ccc(CCOCCF)s1
InChIInChI=1S/C13H14FNO2S/c14-6-9-17-8-5-10-3-4-12(18-10)13(16)11-2-1-7-15-11/h1-4,7,15H,5-6,8-9H2
InChIKeyFPKDXEHCKGMAEG-UHFFFAOYSA-N
XLogP2.84
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-methylthiophene-2-carboxylate
CID 2549851
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate
CID 8024917
1H-Pyrrole-2-carboxaldehyde, 4-(2-thienyl)-
CID 12080141
2-(Thiophene-2-carbonyl)pyrrole
CID 19914029
5-(1H-pyrrol-2-yl)thiophene-2-carbaldehyde
CID 138974427
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] thiophene-2-carboxylate
CID 4203769
[5-(difluoromethyl)thiophen-2-yl]-(1H-pyrrol-2-yl)methanone
CID 175992466
[5-(2-fluoroethoxy)thiophen-2-yl]-(1H-pyrrol-2-yl)methanone
CID 175992477
3-(1H-Pyrrol-2-yl)-1-(thiophen-2-yl)propanone
CID 12762025
2-(2-Thenoylvinyl)pyrrole
CID 85444355
1-[5-(1H-pyrrol-2-yl)thiophen-2-yl]ethan-1-one
CID 138973547
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2-fluorophenyl)sulfanylacetate
CID 7355132

Frequently Asked Questions

What is the IUPAC name of [5-[2-(2-fluoroethoxy)ethyl]thiophen-2-yl]-(1H-pyrrol-2-yl)methanone?
The IUPAC name of [5-[2-(2-fluoroethoxy)ethyl]thiophen-2-yl]-(1H-pyrrol-2-yl)methanone (CID 175992480) is [5-[2-(2-fluoroethoxy)ethyl]thiophen-2-yl]-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for [5-[2-(2-fluoroethoxy)ethyl]thiophen-2-yl]-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for [5-[2-(2-fluoroethoxy)ethyl]thiophen-2-yl]-(1H-pyrrol-2-yl)methanone is O=C(c1ccc[nH]1)c1ccc(CCOCCF)s1.
What is the InChIKey of [5-[2-(2-fluoroethoxy)ethyl]thiophen-2-yl]-(1H-pyrrol-2-yl)methanone?
The InChIKey is FPKDXEHCKGMAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2S/c14-6-9-17-8-5-10-3-4-12(18-10)13(16)11-2-1-7-15-11/h1-4,7,15H,5-6,8-9H2.
What are the key properties of [5-[2-(2-fluoroethoxy)ethyl]thiophen-2-yl]-(1H-pyrrol-2-yl)methanone?
[5-[2-(2-fluoroethoxy)ethyl]thiophen-2-yl]-(1H-pyrrol-2-yl)methanone has a molecular weight of 267.32 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(2-fluoroethoxy)ethyl]thiophen-2-yl]-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 175992480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).