2-fluoro-3-(2-thiophen-2-ylethoxymethyl)benzonitrile

C14H12FNOS — CID 107115192

IUPAC2-fluoro-3-(2-thiophen-2-ylethoxymethyl)benzonitrile
SMILESN#Cc1cccc(COCCc2cccs2)c1F
InChIInChI=1S/C14H12FNOS/c15-14-11(9-16)3-1-4-12(14)10-17-7-6-13-5-2-8-18-13/h1-5,8H,6-7,10H2
InChIKeyMYGWDNQDHHNOQK-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.52
Rot. Bonds5

About 2-fluoro-3-(2-thiophen-2-ylethoxymethyl)benzonitrile

2-fluoro-3-(2-thiophen-2-ylethoxymethyl)benzonitrile (PubChem CID 107115192) has the molecular formula C14H12FNOS and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-fluoro-3-(2-thiophen-2-ylethoxymethyl)benzonitrile.

Molecular Properties

Compound Name2-fluoro-3-(2-thiophen-2-ylethoxymethyl)benzonitrile
PubChem CID107115192
Molecular FormulaC14H12FNOS
Molecular Weight261.32 g/mol
Exact Mass261.06
IUPAC Name2-fluoro-3-(2-thiophen-2-ylethoxymethyl)benzonitrile
SMILESN#Cc1cccc(COCCc2cccs2)c1F
InChIInChI=1S/C14H12FNOS/c15-14-11(9-16)3-1-4-12(14)10-17-7-6-13-5-2-8-18-13/h1-5,8H,6-7,10H2
InChIKeyMYGWDNQDHHNOQK-UHFFFAOYSA-N
XLogP3.52
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(2-fluoro-3-nitrophenyl)methoxy]ethyl]thiophene
CID 107348714
2-fluoro-3-(2-trimethylsilylethoxymethyl)benzonitrile
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3-(ethoxymethyl)-2-fluorobenzonitrile
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2-fluoro-3-[2-(2-methylpropoxy)ethoxymethyl]benzonitrile
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3-[2-(ethylamino)ethoxymethyl]-2-fluorobenzonitrile
CID 107118720
3-(2-cyclobutylethoxymethyl)-2-fluorobenzonitrile
CID 106201634
2-[2-[(4-fluorophenyl)methoxy]ethyl]thiophene
CID 19099065
5-fluoro-2-(2-thiophen-2-ylethoxy)benzonitrile
CID 55232319
3-[(4-bromophenyl)methoxymethyl]-2-fluorobenzonitrile
CID 107115238
2-fluoro-3-(thiophen-2-ylmethoxymethyl)aniline
CID 107347955
3-[(2,6-dichlorophenoxy)methyl]-2-fluorobenzonitrile
CID 107115182
2-fluoro-3-[(2-iodophenoxy)methyl]benzonitrile
CID 103886696

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(2-thiophen-2-ylethoxymethyl)benzonitrile?
The IUPAC name of 2-fluoro-3-(2-thiophen-2-ylethoxymethyl)benzonitrile (CID 107115192) is 2-fluoro-3-(2-thiophen-2-ylethoxymethyl)benzonitrile.
What is the SMILES notation for 2-fluoro-3-(2-thiophen-2-ylethoxymethyl)benzonitrile?
The canonical SMILES for 2-fluoro-3-(2-thiophen-2-ylethoxymethyl)benzonitrile is N#Cc1cccc(COCCc2cccs2)c1F.
What is the InChIKey of 2-fluoro-3-(2-thiophen-2-ylethoxymethyl)benzonitrile?
The InChIKey is MYGWDNQDHHNOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNOS/c15-14-11(9-16)3-1-4-12(14)10-17-7-6-13-5-2-8-18-13/h1-5,8H,6-7,10H2.
What are the key properties of 2-fluoro-3-(2-thiophen-2-ylethoxymethyl)benzonitrile?
2-fluoro-3-(2-thiophen-2-ylethoxymethyl)benzonitrile has a molecular weight of 261.32 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(2-thiophen-2-ylethoxymethyl)benzonitrile is sourced from PubChem (CID 107115192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).