3-[(S)-(4-fluorophenyl)-methoxymethyl]-1-benzothiophene

C16H13FOS — CID 102267086

IUPAC3-[(S)-(4-fluorophenyl)-methoxymethyl]-1-benzothiophene
SMILESCO[C@@H](c1ccc(F)cc1)c1csc2ccccc12
InChIInChI=1S/C16H13FOS/c1-18-16(11-6-8-12(17)9-7-11)14-10-19-15-5-3-2-4-13(14)15/h2-10,16H,1H3/t16-/m0/s1
InChIKeySVKVDVVGROMSOG-INIZCTEOSA-N
MW272.34 g/mol
LogP4.78
Rot. Bonds3

About 3-[(S)-(4-fluorophenyl)-methoxymethyl]-1-benzothiophene

3-[(S)-(4-fluorophenyl)-methoxymethyl]-1-benzothiophene (PubChem CID 102267086) has the molecular formula C16H13FOS and a molecular weight of 272.34 g/mol. Its IUPAC name is 3-[(S)-(4-fluorophenyl)-methoxymethyl]-1-benzothiophene.

Molecular Properties

Compound Name3-[(S)-(4-fluorophenyl)-methoxymethyl]-1-benzothiophene
PubChem CID102267086
Molecular FormulaC16H13FOS
Molecular Weight272.34 g/mol
Exact Mass272.07
IUPAC Name3-[(S)-(4-fluorophenyl)-methoxymethyl]-1-benzothiophene
SMILESCO[C@@H](c1ccc(F)cc1)c1csc2ccccc12
InChIInChI=1S/C16H13FOS/c1-18-16(11-6-8-12(17)9-7-11)14-10-19-15-5-3-2-4-13(14)15/h2-10,16H,1H3/t16-/m0/s1
InChIKeySVKVDVVGROMSOG-INIZCTEOSA-N
XLogP4.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(S)-(4-fluorophenyl)-methoxymethyl]-1-benzothiophene?
The IUPAC name of 3-[(S)-(4-fluorophenyl)-methoxymethyl]-1-benzothiophene (CID 102267086) is 3-[(S)-(4-fluorophenyl)-methoxymethyl]-1-benzothiophene.
What is the SMILES notation for 3-[(S)-(4-fluorophenyl)-methoxymethyl]-1-benzothiophene?
The canonical SMILES for 3-[(S)-(4-fluorophenyl)-methoxymethyl]-1-benzothiophene is CO[C@@H](c1ccc(F)cc1)c1csc2ccccc12.
What is the InChIKey of 3-[(S)-(4-fluorophenyl)-methoxymethyl]-1-benzothiophene?
The InChIKey is SVKVDVVGROMSOG-INIZCTEOSA-N. The full InChI is InChI=1S/C16H13FOS/c1-18-16(11-6-8-12(17)9-7-11)14-10-19-15-5-3-2-4-13(14)15/h2-10,16H,1H3/t16-/m0/s1.
What are the key properties of 3-[(S)-(4-fluorophenyl)-methoxymethyl]-1-benzothiophene?
3-[(S)-(4-fluorophenyl)-methoxymethyl]-1-benzothiophene has a molecular weight of 272.34 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(S)-(4-fluorophenyl)-methoxymethyl]-1-benzothiophene is sourced from PubChem (CID 102267086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).