3-[2-[(4-fluorophenyl)methoxy]ethyl]thiophene

C13H13FOS — CID 14611973

IUPAC3-[2-[(4-fluorophenyl)methoxy]ethyl]thiophene
SMILESFc1ccc(COCCc2ccsc2)cc1
InChIInChI=1S/C13H13FOS/c14-13-3-1-11(2-4-13)9-15-7-5-12-6-8-16-10-12/h1-4,6,8,10H,5,7,9H2
InChIKeyQRKKMZGACJHJQE-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.65
Rot. Bonds5

About 3-[2-[(4-fluorophenyl)methoxy]ethyl]thiophene

3-[2-[(4-fluorophenyl)methoxy]ethyl]thiophene (PubChem CID 14611973) has the molecular formula C13H13FOS and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-[2-[(4-fluorophenyl)methoxy]ethyl]thiophene.

Molecular Properties

Compound Name3-[2-[(4-fluorophenyl)methoxy]ethyl]thiophene
PubChem CID14611973
Molecular FormulaC13H13FOS
Molecular Weight236.31 g/mol
Exact Mass236.07
IUPAC Name3-[2-[(4-fluorophenyl)methoxy]ethyl]thiophene
SMILESFc1ccc(COCCc2ccsc2)cc1
InChIInChI=1S/C13H13FOS/c14-13-3-1-11(2-4-13)9-15-7-5-12-6-8-16-10-12/h1-4,6,8,10H,5,7,9H2
InChIKeyQRKKMZGACJHJQE-UHFFFAOYSA-N
XLogP3.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-fluorophenyl)methoxy]ethyl]thiophene?
The IUPAC name of 3-[2-[(4-fluorophenyl)methoxy]ethyl]thiophene (CID 14611973) is 3-[2-[(4-fluorophenyl)methoxy]ethyl]thiophene.
What is the SMILES notation for 3-[2-[(4-fluorophenyl)methoxy]ethyl]thiophene?
The canonical SMILES for 3-[2-[(4-fluorophenyl)methoxy]ethyl]thiophene is Fc1ccc(COCCc2ccsc2)cc1.
What is the InChIKey of 3-[2-[(4-fluorophenyl)methoxy]ethyl]thiophene?
The InChIKey is QRKKMZGACJHJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FOS/c14-13-3-1-11(2-4-13)9-15-7-5-12-6-8-16-10-12/h1-4,6,8,10H,5,7,9H2.
What are the key properties of 3-[2-[(4-fluorophenyl)methoxy]ethyl]thiophene?
3-[2-[(4-fluorophenyl)methoxy]ethyl]thiophene has a molecular weight of 236.31 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-fluorophenyl)methoxy]ethyl]thiophene is sourced from PubChem (CID 14611973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).