1-[4-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]ethanone

C14H13FO2S — CID 63774355

IUPAC1-[4-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(F)cc1OCCc1cccs1
InChIInChI=1S/C14H13FO2S/c1-10(16)13-5-4-11(15)9-14(13)17-7-6-12-3-2-8-18-12/h2-5,8-9H,6-7H2,1H3
InChIKeyUQHJCSIQZIHIEA-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.71
Rot. Bonds5

About 1-[4-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]ethanone

1-[4-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]ethanone (PubChem CID 63774355) has the molecular formula C14H13FO2S and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[4-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]ethanone
PubChem CID63774355
Molecular FormulaC14H13FO2S
Molecular Weight264.32 g/mol
Exact Mass264.06
IUPAC Name1-[4-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(F)cc1OCCc1cccs1
InChIInChI=1S/C14H13FO2S/c1-10(16)13-5-4-11(15)9-14(13)17-7-6-12-3-2-8-18-12/h2-5,8-9H,6-7H2,1H3
InChIKeyUQHJCSIQZIHIEA-UHFFFAOYSA-N
XLogP3.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-bromoethoxy)-4-fluorophenyl]ethanone
CID 63069077
1-(2-ethoxy-4-fluorophenyl)ethanone
CID 63067474
N-[[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107696673
(1R)-1-[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine
CID 63370121
2-[2-(2-fluorophenoxy)ethyl]thiophene
CID 64764713
5-fluoro-2-(2-thiophen-2-ylethoxy)benzonitrile
CID 55232319
4-(2-acetyl-5-fluorophenoxy)-N-methylbutanamide
CID 63891646
1-[2-[2-(3-bromophenoxy)ethoxy]-4-fluorophenyl]ethanone
CID 63069027
1-[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]propan-2-amine
CID 107700843
1-(2,4-difluorophenyl)-3-thiophen-2-ylpropan-1-one
CID 63773682
5-methyl-2-(2-thiophen-2-ylethoxy)benzoic acid
CID 55220019
1-[5-fluoro-2-[2-(4-fluorophenoxy)ethoxy]phenyl]ethanone
CID 112787668

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]ethanone?
The IUPAC name of 1-[4-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]ethanone (CID 63774355) is 1-[4-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[4-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]ethanone?
The canonical SMILES for 1-[4-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]ethanone is CC(=O)c1ccc(F)cc1OCCc1cccs1.
What is the InChIKey of 1-[4-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]ethanone?
The InChIKey is UQHJCSIQZIHIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO2S/c1-10(16)13-5-4-11(15)9-14(13)17-7-6-12-3-2-8-18-12/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 1-[4-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]ethanone?
1-[4-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]ethanone has a molecular weight of 264.32 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]ethanone is sourced from PubChem (CID 63774355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).