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

C13H13FOS — CID 19099065

IUPAC2-[2-[(4-fluorophenyl)methoxy]ethyl]thiophene
SMILESFc1ccc(COCCc2cccs2)cc1
InChIInChI=1S/C13H13FOS/c14-12-5-3-11(4-6-12)10-15-8-7-13-2-1-9-16-13/h1-6,9H,7-8,10H2
InChIKeyZJBHUJBYNCPUBS-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.65
Rot. Bonds5

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

2-[2-[(4-fluorophenyl)methoxy]ethyl]thiophene (PubChem CID 19099065) has the molecular formula C13H13FOS and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[2-[(4-fluorophenyl)methoxy]ethyl]thiophene.

Molecular Properties

Compound Name2-[2-[(4-fluorophenyl)methoxy]ethyl]thiophene
PubChem CID19099065
Molecular FormulaC13H13FOS
Molecular Weight236.31 g/mol
Exact Mass236.07
IUPAC Name2-[2-[(4-fluorophenyl)methoxy]ethyl]thiophene
SMILESFc1ccc(COCCc2cccs2)cc1
InChIInChI=1S/C13H13FOS/c14-12-5-3-11(4-6-12)10-15-8-7-13-2-1-9-16-13/h1-6,9H,7-8,10H2
InChIKeyZJBHUJBYNCPUBS-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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Related Compounds

2-fluoro-5-(2-thiophen-2-ylethoxymethyl)benzoic acid
CID 107881207
2-[2-(2-fluorophenoxy)ethyl]thiophene
CID 64764713
N-[2-[(4-chlorophenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine
CID 65125134
N-(2-phenylmethoxyethyl)-2-thiophen-2-ylethanamine
CID 62565758
2-[2-[(4-bromo-3-nitrophenyl)methoxy]ethyl]thiophene
CID 113335363
2-fluoro-3-(2-thiophen-2-ylethoxymethyl)benzonitrile
CID 107115192
5-(2-thiophen-2-ylethoxymethyl)-1-benzofuran-2-carboxylic acid
CID 65293795
5-fluoro-2-(2-thiophen-2-ylethoxy)benzonitrile
CID 55232319
2-[2-[4-(bromomethyl)-2,6-difluorophenoxy]ethyl]thiophene
CID 79887659
[3,5-difluoro-4-(2-thiophen-2-ylethoxy)phenyl]methanamine
CID 79886131
2-thiophen-2-ylethoxysilane
CID 154346669
2-[2-[(2-fluoro-3-nitrophenyl)methoxy]ethyl]thiophene
CID 107348714

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-fluorophenyl)methoxy]ethyl]thiophene?
The IUPAC name of 2-[2-[(4-fluorophenyl)methoxy]ethyl]thiophene (CID 19099065) is 2-[2-[(4-fluorophenyl)methoxy]ethyl]thiophene.
What is the SMILES notation for 2-[2-[(4-fluorophenyl)methoxy]ethyl]thiophene?
The canonical SMILES for 2-[2-[(4-fluorophenyl)methoxy]ethyl]thiophene is Fc1ccc(COCCc2cccs2)cc1.
What is the InChIKey of 2-[2-[(4-fluorophenyl)methoxy]ethyl]thiophene?
The InChIKey is ZJBHUJBYNCPUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FOS/c14-12-5-3-11(4-6-12)10-15-8-7-13-2-1-9-16-13/h1-6,9H,7-8,10H2.
What are the key properties of 2-[2-[(4-fluorophenyl)methoxy]ethyl]thiophene?
2-[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 2-[2-[(4-fluorophenyl)methoxy]ethyl]thiophene is sourced from PubChem (CID 19099065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).