[3-(3-fluorophenoxy)pyrrolidin-1-yl]-thiophen-2-ylmethanone

C15H14FNO2S — CID 110196227

IUPAC[3-(3-fluorophenoxy)pyrrolidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(Oc2cccc(F)c2)C1
InChIInChI=1S/C15H14FNO2S/c16-11-3-1-4-12(9-11)19-13-6-7-17(10-13)15(18)14-5-2-8-20-14/h1-5,8-9,13H,6-7,10H2
InChIKeyMGJBJULOEYQSSK-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.18
Rot. Bonds3

About [3-(3-fluorophenoxy)pyrrolidin-1-yl]-thiophen-2-ylmethanone

[3-(3-fluorophenoxy)pyrrolidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 110196227) has the molecular formula C15H14FNO2S and a molecular weight of 291.35 g/mol. Its IUPAC name is [3-(3-fluorophenoxy)pyrrolidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[3-(3-fluorophenoxy)pyrrolidin-1-yl]-thiophen-2-ylmethanone
PubChem CID110196227
Molecular FormulaC15H14FNO2S
Molecular Weight291.35 g/mol
Exact Mass291.07
IUPAC Name[3-(3-fluorophenoxy)pyrrolidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(Oc2cccc(F)c2)C1
InChIInChI=1S/C15H14FNO2S/c16-11-3-1-4-12(9-11)19-13-6-7-17(10-13)15(18)14-5-2-8-20-14/h1-5,8-9,13H,6-7,10H2
InChIKeyMGJBJULOEYQSSK-UHFFFAOYSA-N
XLogP3.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(3-fluorophenoxy)pyrrolidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [3-(3-fluorophenoxy)pyrrolidin-1-yl]-thiophen-2-ylmethanone (CID 110196227) is [3-(3-fluorophenoxy)pyrrolidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [3-(3-fluorophenoxy)pyrrolidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [3-(3-fluorophenoxy)pyrrolidin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCC(Oc2cccc(F)c2)C1.
What is the InChIKey of [3-(3-fluorophenoxy)pyrrolidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is MGJBJULOEYQSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2S/c16-11-3-1-4-12(9-11)19-13-6-7-17(10-13)15(18)14-5-2-8-20-14/h1-5,8-9,13H,6-7,10H2.
What are the key properties of [3-(3-fluorophenoxy)pyrrolidin-1-yl]-thiophen-2-ylmethanone?
[3-(3-fluorophenoxy)pyrrolidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 291.35 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluorophenoxy)pyrrolidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 110196227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).