1-[5-(3-fluorophenyl)thiophen-2-yl]butan-1-one

C14H13FOS — CID 43154048

IUPAC1-[5-(3-fluorophenyl)thiophen-2-yl]butan-1-one
SMILESCCCC(=O)c1ccc(-c2cccc(F)c2)s1
InChIInChI=1S/C14H13FOS/c1-2-4-12(16)14-8-7-13(17-14)10-5-3-6-11(15)9-10/h3,5-9H,2,4H2,1H3
InChIKeyGNMRZTTVTNZGOR-UHFFFAOYSA-N
MW248.32 g/mol
LogP4.54
Rot. Bonds4

About 1-[5-(3-fluorophenyl)thiophen-2-yl]butan-1-one

1-[5-(3-fluorophenyl)thiophen-2-yl]butan-1-one (PubChem CID 43154048) has the molecular formula C14H13FOS and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-[5-(3-fluorophenyl)thiophen-2-yl]butan-1-one.

Molecular Properties

Compound Name1-[5-(3-fluorophenyl)thiophen-2-yl]butan-1-one
PubChem CID43154048
Molecular FormulaC14H13FOS
Molecular Weight248.32 g/mol
Exact Mass248.07
IUPAC Name1-[5-(3-fluorophenyl)thiophen-2-yl]butan-1-one
SMILESCCCC(=O)c1ccc(-c2cccc(F)c2)s1
InChIInChI=1S/C14H13FOS/c1-2-4-12(16)14-8-7-13(17-14)10-5-3-6-11(15)9-10/h3,5-9H,2,4H2,1H3
InChIKeyGNMRZTTVTNZGOR-UHFFFAOYSA-N
XLogP4.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Acetyl-2,5-dimethylthiophene
CID 520191
2-Acetylbenzothiophene
CID 89805
1-(5-Phenylthiophen-2-yl)ethan-1-one
CID 4962481
4,5,6,7-Tetrahydro-4-oxothionaphthene
CID 83418
2-Benzoylthiophene
CID 67262
3-Acetylbenzothiophene
CID 14316
5-Phenylthiophene-2-carbaldehyde
CID 177053
(2E)-3-phenyl-1-(thiophen-2-yl)prop-2-en-1-one
CID 5702653
(2E)-2-[(Thiophen-2-YL)methylidene]-2,3-dihydro-1H-inden-1-one
CID 2305465
2-[5-(2-Fluorobenzoyl)-2-thienyl]acetonitrile
CID 2774431
3-Phenyl-1-(thien-2-yl)prop-2-en-1-one
CID 19891
2-Acetyl-3-methylbenzo[b]thiophene
CID 519603

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-fluorophenyl)thiophen-2-yl]butan-1-one?
The IUPAC name of 1-[5-(3-fluorophenyl)thiophen-2-yl]butan-1-one (CID 43154048) is 1-[5-(3-fluorophenyl)thiophen-2-yl]butan-1-one.
What is the SMILES notation for 1-[5-(3-fluorophenyl)thiophen-2-yl]butan-1-one?
The canonical SMILES for 1-[5-(3-fluorophenyl)thiophen-2-yl]butan-1-one is CCCC(=O)c1ccc(-c2cccc(F)c2)s1.
What is the InChIKey of 1-[5-(3-fluorophenyl)thiophen-2-yl]butan-1-one?
The InChIKey is GNMRZTTVTNZGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FOS/c1-2-4-12(16)14-8-7-13(17-14)10-5-3-6-11(15)9-10/h3,5-9H,2,4H2,1H3.
What are the key properties of 1-[5-(3-fluorophenyl)thiophen-2-yl]butan-1-one?
1-[5-(3-fluorophenyl)thiophen-2-yl]butan-1-one has a molecular weight of 248.32 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-fluorophenyl)thiophen-2-yl]butan-1-one is sourced from PubChem (CID 43154048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).