2-(4-fluorophenyl)sulfanyl-3,4-dipropyl-2H-furan-5-one

C16H19FO2S — CID 102218877

IUPAC2-(4-fluorophenyl)sulfanyl-3,4-dipropyl-2H-furan-5-one
SMILESCCCC1=C(CCC)C(Sc2ccc(F)cc2)OC1=O
InChIInChI=1S/C16H19FO2S/c1-3-5-13-14(6-4-2)16(19-15(13)18)20-12-9-7-11(17)8-10-12/h7-10,16H,3-6H2,1-2H3
InChIKeyZYMMBNBKXQTOHL-UHFFFAOYSA-N
MW294.39 g/mol
LogP4.70
Rot. Bonds6

About 2-(4-fluorophenyl)sulfanyl-3,4-dipropyl-2H-furan-5-one

2-(4-fluorophenyl)sulfanyl-3,4-dipropyl-2H-furan-5-one (PubChem CID 102218877) has the molecular formula C16H19FO2S and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-3,4-dipropyl-2H-furan-5-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-3,4-dipropyl-2H-furan-5-one
PubChem CID102218877
Molecular FormulaC16H19FO2S
Molecular Weight294.39 g/mol
Exact Mass294.11
IUPAC Name2-(4-fluorophenyl)sulfanyl-3,4-dipropyl-2H-furan-5-one
SMILESCCCC1=C(CCC)C(Sc2ccc(F)cc2)OC1=O
InChIInChI=1S/C16H19FO2S/c1-3-5-13-14(6-4-2)16(19-15(13)18)20-12-9-7-11(17)8-10-12/h7-10,16H,3-6H2,1-2H3
InChIKeyZYMMBNBKXQTOHL-UHFFFAOYSA-N
XLogP4.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Fluoro-2-methyl-5-phenylsulfanyl-4H-pyran-3-carboxylic acid ethyl ester
CID 12586994
Ethyl 4-(4-fluorophenyl)-2-propan-2-yl-2,5-dihydrothiophene-3-carboxylate
CID 10827657
Ethyl 4-(4-fluorophenyl)-2,5-di(propan-2-yl)-2,5-dihydrothiophene-3-carboxylate
CID 11727439
(5Z)-5-(phenylsulfanylmethylidene)-3-(2,2,2-trifluoroethyl)furan-2-one
CID 102178659
ethyl (E)-3-hydroxy-2-[(E)-3,3,3-trifluoro-1-phenylsulfanylprop-1-en-2-yl]but-2-enoate
CID 102378508
5-(Phenylsulfanylmethylidene)-3-(2,2,2-trifluoroethyl)furan-2-one
CID 134854750
Ethyl 4-(4-fluorophenyl)-5-(2-methylprop-1-enyl)-2-propan-2-yl-2,5-dihydrothiophene-3-carboxylate
CID 135049652
Ethyl 5-cyclopentyl-4-(4-fluorophenyl)-2-propan-2-yl-2,5-dihydrothiophene-3-carboxylate
CID 135049772
methyl (2Z)-2-[(4-fluorophenyl)sulfanylmethylidene]pent-4-enoate
CID 176422621
methyl (2Z)-2-[(2-fluorophenyl)sulfanylmethylidene]pent-4-enoate
CID 176422627
4-methyl-2-phenylsulfanyl-2H-furan-5-one
CID 138970362
Ethyl 2-(phenylsulfanylmethyl)prop-2-enoate
CID 14847032

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-3,4-dipropyl-2H-furan-5-one?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-3,4-dipropyl-2H-furan-5-one (CID 102218877) is 2-(4-fluorophenyl)sulfanyl-3,4-dipropyl-2H-furan-5-one.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-3,4-dipropyl-2H-furan-5-one?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-3,4-dipropyl-2H-furan-5-one is CCCC1=C(CCC)C(Sc2ccc(F)cc2)OC1=O.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-3,4-dipropyl-2H-furan-5-one?
The InChIKey is ZYMMBNBKXQTOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FO2S/c1-3-5-13-14(6-4-2)16(19-15(13)18)20-12-9-7-11(17)8-10-12/h7-10,16H,3-6H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-3,4-dipropyl-2H-furan-5-one?
2-(4-fluorophenyl)sulfanyl-3,4-dipropyl-2H-furan-5-one has a molecular weight of 294.39 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-3,4-dipropyl-2H-furan-5-one is sourced from PubChem (CID 102218877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).