2-[(4-fluorophenyl)-methoxymethyl]thiophene

C12H11FOS — CID 70342470

IUPAC2-[(4-fluorophenyl)-methoxymethyl]thiophene
SMILESCOC(c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C12H11FOS/c1-14-12(11-3-2-8-15-11)9-4-6-10(13)7-5-9/h2-8,12H,1H3
InChIKeyCWIHGAJTHFXXNG-UHFFFAOYSA-N
MW222.28 g/mol
LogP3.62
Rot. Bonds3

About 2-[(4-fluorophenyl)-methoxymethyl]thiophene

2-[(4-fluorophenyl)-methoxymethyl]thiophene (PubChem CID 70342470) has the molecular formula C12H11FOS and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)-methoxymethyl]thiophene.

Molecular Properties

Compound Name2-[(4-fluorophenyl)-methoxymethyl]thiophene
PubChem CID70342470
Molecular FormulaC12H11FOS
Molecular Weight222.28 g/mol
Exact Mass222.05
IUPAC Name2-[(4-fluorophenyl)-methoxymethyl]thiophene
SMILESCOC(c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C12H11FOS/c1-14-12(11-3-2-8-15-11)9-4-6-10(13)7-5-9/h2-8,12H,1H3
InChIKeyCWIHGAJTHFXXNG-UHFFFAOYSA-N
XLogP3.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)-methoxymethyl]thiophene?
The IUPAC name of 2-[(4-fluorophenyl)-methoxymethyl]thiophene (CID 70342470) is 2-[(4-fluorophenyl)-methoxymethyl]thiophene.
What is the SMILES notation for 2-[(4-fluorophenyl)-methoxymethyl]thiophene?
The canonical SMILES for 2-[(4-fluorophenyl)-methoxymethyl]thiophene is COC(c1ccc(F)cc1)c1cccs1.
What is the InChIKey of 2-[(4-fluorophenyl)-methoxymethyl]thiophene?
The InChIKey is CWIHGAJTHFXXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FOS/c1-14-12(11-3-2-8-15-11)9-4-6-10(13)7-5-9/h2-8,12H,1H3.
What are the key properties of 2-[(4-fluorophenyl)-methoxymethyl]thiophene?
2-[(4-fluorophenyl)-methoxymethyl]thiophene has a molecular weight of 222.28 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)-methoxymethyl]thiophene is sourced from PubChem (CID 70342470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).