4-(1-benzothiophen-3-ylmethoxy)-3-fluorobenzonitrile

C16H10FNOS — CID 107670446

IUPAC4-(1-benzothiophen-3-ylmethoxy)-3-fluorobenzonitrile
SMILESN#Cc1ccc(OCc2csc3ccccc23)c(F)c1
InChIInChI=1S/C16H10FNOS/c17-14-7-11(8-18)5-6-15(14)19-9-12-10-20-16-4-2-1-3-13(12)16/h1-7,10H,9H2
InChIKeyAJBHENWKDFMISU-UHFFFAOYSA-N
MW283.33 g/mol
LogP4.49
Rot. Bonds3

About 4-(1-benzothiophen-3-ylmethoxy)-3-fluorobenzonitrile

4-(1-benzothiophen-3-ylmethoxy)-3-fluorobenzonitrile (PubChem CID 107670446) has the molecular formula C16H10FNOS and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-(1-benzothiophen-3-ylmethoxy)-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-(1-benzothiophen-3-ylmethoxy)-3-fluorobenzonitrile
PubChem CID107670446
Molecular FormulaC16H10FNOS
Molecular Weight283.33 g/mol
Exact Mass283.05
IUPAC Name4-(1-benzothiophen-3-ylmethoxy)-3-fluorobenzonitrile
SMILESN#Cc1ccc(OCc2csc3ccccc23)c(F)c1
InChIInChI=1S/C16H10FNOS/c17-14-7-11(8-18)5-6-15(14)19-9-12-10-20-16-4-2-1-3-13(12)16/h1-7,10H,9H2
InChIKeyAJBHENWKDFMISU-UHFFFAOYSA-N
XLogP4.49
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(1-benzothiophen-3-ylmethoxy)-3-fluorobenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1-benzothiophen-3-ylmethoxy)-3-fluorobenzaldehyde
CID 107689565
5-amino-2-(1-benzothiophen-3-ylmethoxy)benzonitrile
CID 63744509
4-[(4-bromo-2-fluorophenoxy)methyl]-3-fluorobenzonitrile
CID 28880519
[2-(1-benzothiophen-3-ylmethoxy)-5-chlorophenyl]methanamine
CID 63743324
4-[(2,6-dimethylphenyl)methoxy]-3-fluorobenzonitrile
CID 103792189
3-[(2-bromo-4-methylphenoxy)methyl]-1-benzothiophene
CID 63742992
3-[(2-fluorophenoxy)methyl]-1-benzothiophen-5-amine
CID 117174712
4-[(4-amino-2,5-difluorophenoxy)methyl]-3-fluorobenzonitrile
CID 63597416
4-[[4-(2-aminoethyl)-2-fluorophenoxy]methyl]-3-fluorobenzonitrile
CID 107692723
4-(1-benzothiophen-3-ylmethoxy)-3-methoxyaniline
CID 63744670
4-[(4-amino-2-chlorophenyl)methoxy]-3-fluorobenzonitrile
CID 107670241
1-[2-(1-benzothiophen-3-ylmethoxy)-5-bromophenyl]-N-methylmethanamine
CID 63743330

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-3-ylmethoxy)-3-fluorobenzonitrile?
The IUPAC name of 4-(1-benzothiophen-3-ylmethoxy)-3-fluorobenzonitrile (CID 107670446) is 4-(1-benzothiophen-3-ylmethoxy)-3-fluorobenzonitrile.
What is the SMILES notation for 4-(1-benzothiophen-3-ylmethoxy)-3-fluorobenzonitrile?
The canonical SMILES for 4-(1-benzothiophen-3-ylmethoxy)-3-fluorobenzonitrile is N#Cc1ccc(OCc2csc3ccccc23)c(F)c1.
What is the InChIKey of 4-(1-benzothiophen-3-ylmethoxy)-3-fluorobenzonitrile?
The InChIKey is AJBHENWKDFMISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FNOS/c17-14-7-11(8-18)5-6-15(14)19-9-12-10-20-16-4-2-1-3-13(12)16/h1-7,10H,9H2.
What are the key properties of 4-(1-benzothiophen-3-ylmethoxy)-3-fluorobenzonitrile?
4-(1-benzothiophen-3-ylmethoxy)-3-fluorobenzonitrile has a molecular weight of 283.33 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-3-ylmethoxy)-3-fluorobenzonitrile is sourced from PubChem (CID 107670446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).