2-[2-[2-(chloromethyl)-6-fluorophenoxy]ethyl]thiophene

C13H12ClFOS — CID 112613704

IUPAC2-[2-[2-(chloromethyl)-6-fluorophenoxy]ethyl]thiophene
SMILESFc1cccc(CCl)c1OCCc1cccs1
InChIInChI=1S/C13H12ClFOS/c14-9-10-3-1-5-12(15)13(10)16-7-6-11-4-2-8-17-11/h1-5,8H,6-7,9H2
InChIKeyRMENGAGXHWTXBH-UHFFFAOYSA-N
MW270.76 g/mol
LogP4.25
Rot. Bonds5

About 2-[2-[2-(chloromethyl)-6-fluorophenoxy]ethyl]thiophene

2-[2-[2-(chloromethyl)-6-fluorophenoxy]ethyl]thiophene (PubChem CID 112613704) has the molecular formula C13H12ClFOS and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-[2-[2-(chloromethyl)-6-fluorophenoxy]ethyl]thiophene.

Molecular Properties

Compound Name2-[2-[2-(chloromethyl)-6-fluorophenoxy]ethyl]thiophene
PubChem CID112613704
Molecular FormulaC13H12ClFOS
Molecular Weight270.76 g/mol
Exact Mass270.03
IUPAC Name2-[2-[2-(chloromethyl)-6-fluorophenoxy]ethyl]thiophene
SMILESFc1cccc(CCl)c1OCCc1cccs1
InChIInChI=1S/C13H12ClFOS/c14-9-10-3-1-5-12(15)13(10)16-7-6-11-4-2-8-17-11/h1-5,8H,6-7,9H2
InChIKeyRMENGAGXHWTXBH-UHFFFAOYSA-N
XLogP4.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-fluoro-2-(thiophen-2-ylmethoxy)phenyl]ethanamine
CID 112615303
2-[2-(2-fluorophenoxy)ethyl]thiophene
CID 64764713
1-(chloromethyl)-3-fluoro-2-[2-(trifluoromethoxy)ethoxy]benzene
CID 112613725
1-(chloromethyl)-3-fluoro-2-nonoxybenzene
CID 112613670
1-(chloromethyl)-3-fluoro-2-octoxybenzene
CID 112613575
1-(chloromethyl)-2-(3,3-dimethylbutoxy)-3-fluorobenzene
CID 112613586
2-[2-[4-(bromomethyl)-2,6-difluorophenoxy]ethyl]thiophene
CID 79887659
[3,5-difluoro-4-(2-thiophen-2-ylethoxy)phenyl]methanamine
CID 79886131
3-fluoro-2-(thiophen-2-ylmethoxy)aniline
CID 104831460
1-(chloromethyl)-3-fluoro-2-(3-methoxy-3-methylbutoxy)benzene
CID 103034330
2-bromo-1-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-3-fluorobenzene
CID 112613624
1-[3-fluoro-2-(thiophen-2-ylmethoxy)phenyl]propan-2-amine
CID 112615919

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(chloromethyl)-6-fluorophenoxy]ethyl]thiophene?
The IUPAC name of 2-[2-[2-(chloromethyl)-6-fluorophenoxy]ethyl]thiophene (CID 112613704) is 2-[2-[2-(chloromethyl)-6-fluorophenoxy]ethyl]thiophene.
What is the SMILES notation for 2-[2-[2-(chloromethyl)-6-fluorophenoxy]ethyl]thiophene?
The canonical SMILES for 2-[2-[2-(chloromethyl)-6-fluorophenoxy]ethyl]thiophene is Fc1cccc(CCl)c1OCCc1cccs1.
What is the InChIKey of 2-[2-[2-(chloromethyl)-6-fluorophenoxy]ethyl]thiophene?
The InChIKey is RMENGAGXHWTXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFOS/c14-9-10-3-1-5-12(15)13(10)16-7-6-11-4-2-8-17-11/h1-5,8H,6-7,9H2.
What are the key properties of 2-[2-[2-(chloromethyl)-6-fluorophenoxy]ethyl]thiophene?
2-[2-[2-(chloromethyl)-6-fluorophenoxy]ethyl]thiophene has a molecular weight of 270.76 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(chloromethyl)-6-fluorophenoxy]ethyl]thiophene is sourced from PubChem (CID 112613704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).