1-(4-fluorophenyl)-3-(2-methylfuran-3-yl)sulfanylpropan-1-one

C14H13FO2S — CID 107781225

IUPAC1-(4-fluorophenyl)-3-(2-methylfuran-3-yl)sulfanylpropan-1-one
SMILESCc1occc1SCCC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H13FO2S/c1-10-14(6-8-17-10)18-9-7-13(16)11-2-4-12(15)5-3-11/h2-6,8H,7,9H2,1H3
InChIKeyDJNIVYQHDAINEO-UHFFFAOYSA-N
MW264.32 g/mol
LogP4.09
Rot. Bonds5

About 1-(4-fluorophenyl)-3-(2-methylfuran-3-yl)sulfanylpropan-1-one

1-(4-fluorophenyl)-3-(2-methylfuran-3-yl)sulfanylpropan-1-one (PubChem CID 107781225) has the molecular formula C14H13FO2S and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(2-methylfuran-3-yl)sulfanylpropan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(2-methylfuran-3-yl)sulfanylpropan-1-one
PubChem CID107781225
Molecular FormulaC14H13FO2S
Molecular Weight264.32 g/mol
Exact Mass264.06
IUPAC Name1-(4-fluorophenyl)-3-(2-methylfuran-3-yl)sulfanylpropan-1-one
SMILESCc1occc1SCCC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H13FO2S/c1-10-14(6-8-17-10)18-9-7-13(16)11-2-4-12(15)5-3-11/h2-6,8H,7,9H2,1H3
InChIKeyDJNIVYQHDAINEO-UHFFFAOYSA-N
XLogP4.09
TPSA30.21 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 ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-hydroxyphenyl)-2-(2-methylfuran-3-yl)sulfanylethanone
CID 114000859
N'-hydroxy-3-(2-methylfuran-3-yl)sulfanylpropanimidamide
CID 107780325
1-(4-fluorophenyl)-3-(2-nitrophenyl)sulfanylpropan-1-one
CID 43793891
2-[3-(4-fluorophenyl)-3-oxopropyl]sulfanyl-4-methyl-1H-pyrimidin-6-one
CID 135924675
ethyl (3R)-3-[3-(4-fluorophenyl)-3-oxopropyl]sulfanylbutanoate
CID 97158700
1-(4-fluorophenyl)-3-pentylsulfanylpropan-1-one
CID 107752472
1,9-bis(4-fluorophenyl)nonane-1,9-dione
CID 68637188
4-ethylsulfanyl-1-(4-fluorophenyl)butan-1-one
CID 43793961
2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanoic acid
CID 107779054
1-(4-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylpropan-1-one
CID 114000854
4-tert-butylsulfanyl-1-(4-fluorophenyl)butan-1-one
CID 43218954
2,2-dimethyl-3-(2-methylfuran-3-yl)sulfanylpropanoic acid
CID 107779028

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(2-methylfuran-3-yl)sulfanylpropan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-3-(2-methylfuran-3-yl)sulfanylpropan-1-one (CID 107781225) is 1-(4-fluorophenyl)-3-(2-methylfuran-3-yl)sulfanylpropan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(2-methylfuran-3-yl)sulfanylpropan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-(2-methylfuran-3-yl)sulfanylpropan-1-one is Cc1occc1SCCC(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(2-methylfuran-3-yl)sulfanylpropan-1-one?
The InChIKey is DJNIVYQHDAINEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO2S/c1-10-14(6-8-17-10)18-9-7-13(16)11-2-4-12(15)5-3-11/h2-6,8H,7,9H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-(2-methylfuran-3-yl)sulfanylpropan-1-one?
1-(4-fluorophenyl)-3-(2-methylfuran-3-yl)sulfanylpropan-1-one has a molecular weight of 264.32 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(2-methylfuran-3-yl)sulfanylpropan-1-one is sourced from PubChem (CID 107781225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).