4-(2-fluorophenyl)sulfanyl-1-thiophen-2-ylbutan-1-one

C14H13FOS2 — CID 43411995

IUPAC4-(2-fluorophenyl)sulfanyl-1-thiophen-2-ylbutan-1-one
SMILESO=C(CCCSc1ccccc1F)c1cccs1
InChIInChI=1S/C14H13FOS2/c15-11-5-1-2-7-13(11)17-9-3-6-12(16)14-8-4-10-18-14/h1-2,4-5,7-8,10H,3,6,9H2
InChIKeyHHIBILGRXBJBFC-UHFFFAOYSA-N
MW280.39 g/mol
LogP4.64
Rot. Bonds6

About 4-(2-fluorophenyl)sulfanyl-1-thiophen-2-ylbutan-1-one

4-(2-fluorophenyl)sulfanyl-1-thiophen-2-ylbutan-1-one (PubChem CID 43411995) has the molecular formula C14H13FOS2 and a molecular weight of 280.39 g/mol. Its IUPAC name is 4-(2-fluorophenyl)sulfanyl-1-thiophen-2-ylbutan-1-one.

Molecular Properties

Compound Name4-(2-fluorophenyl)sulfanyl-1-thiophen-2-ylbutan-1-one
PubChem CID43411995
Molecular FormulaC14H13FOS2
Molecular Weight280.39 g/mol
Exact Mass280.04
IUPAC Name4-(2-fluorophenyl)sulfanyl-1-thiophen-2-ylbutan-1-one
SMILESO=C(CCCSc1ccccc1F)c1cccs1
InChIInChI=1S/C14H13FOS2/c15-11-5-1-2-7-13(11)17-9-3-6-12(16)14-8-4-10-18-14/h1-2,4-5,7-8,10H,3,6,9H2
InChIKeyHHIBILGRXBJBFC-UHFFFAOYSA-N
XLogP4.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 54.64
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

1-thiophen-2-yl-4-(trifluoromethylsulfanyl)butan-1-one
CID 138977025
4-amino-1-thiophen-2-ylbutan-1-one
CID 55267003
4-pentylsulfanyl-1-thiophen-2-ylbutan-1-one
CID 107752475
4-(4-nitrophenyl)sulfanyl-1-thiophen-2-ylbutan-1-one
CID 43793889
4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-thiophen-2-ylbutan-1-one
CID 7760136
5-hydroxy-1-thiophen-2-ylpentan-1-one
CID 102168662
ethyl 4-(2-fluorophenyl)sulfanylbutanoate
CID 78846357
N-[3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]phenyl]thiophene-2-carboxamide
CID 31516052
4-(2,3-difluorophenoxy)-1-thiophen-2-ylbutan-1-one
CID 63038347
4-(3-methoxypropylsulfanyl)-1-thiophen-2-ylbutan-1-one
CID 63856136
4-(oxetan-3-ylsulfanyl)-1-thiophen-2-ylbutan-1-one
CID 79325972
4-[[4-(4-fluorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]-1-thiophen-2-ylbutan-1-one
CID 7528623

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)sulfanyl-1-thiophen-2-ylbutan-1-one?
The IUPAC name of 4-(2-fluorophenyl)sulfanyl-1-thiophen-2-ylbutan-1-one (CID 43411995) is 4-(2-fluorophenyl)sulfanyl-1-thiophen-2-ylbutan-1-one.
What is the SMILES notation for 4-(2-fluorophenyl)sulfanyl-1-thiophen-2-ylbutan-1-one?
The canonical SMILES for 4-(2-fluorophenyl)sulfanyl-1-thiophen-2-ylbutan-1-one is O=C(CCCSc1ccccc1F)c1cccs1.
What is the InChIKey of 4-(2-fluorophenyl)sulfanyl-1-thiophen-2-ylbutan-1-one?
The InChIKey is HHIBILGRXBJBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FOS2/c15-11-5-1-2-7-13(11)17-9-3-6-12(16)14-8-4-10-18-14/h1-2,4-5,7-8,10H,3,6,9H2.
What are the key properties of 4-(2-fluorophenyl)sulfanyl-1-thiophen-2-ylbutan-1-one?
4-(2-fluorophenyl)sulfanyl-1-thiophen-2-ylbutan-1-one has a molecular weight of 280.39 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)sulfanyl-1-thiophen-2-ylbutan-1-one is sourced from PubChem (CID 43411995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).