1-[cyclobutylidene-(4-fluorophenyl)methyl]-4-methylsulfanylbenzene

C18H17FS — CID 143047187

IUPAC1-[cyclobutylidene-(4-fluorophenyl)methyl]-4-methylsulfanylbenzene
SMILESCSc1ccc(C(=C2CCC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H17FS/c1-20-17-11-7-15(8-12-17)18(13-3-2-4-13)14-5-9-16(19)10-6-14/h5-12H,2-4H2,1H3
InChIKeyLKMRGBJKRBAQNS-UHFFFAOYSA-N
MW284.40 g/mol
LogP5.53
Rot. Bonds3

About 1-[cyclobutylidene-(4-fluorophenyl)methyl]-4-methylsulfanylbenzene

1-[cyclobutylidene-(4-fluorophenyl)methyl]-4-methylsulfanylbenzene (PubChem CID 143047187) has the molecular formula C18H17FS and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[cyclobutylidene-(4-fluorophenyl)methyl]-4-methylsulfanylbenzene.

Molecular Properties

Compound Name1-[cyclobutylidene-(4-fluorophenyl)methyl]-4-methylsulfanylbenzene
PubChem CID143047187
Molecular FormulaC18H17FS
Molecular Weight284.40 g/mol
Exact Mass284.10
IUPAC Name1-[cyclobutylidene-(4-fluorophenyl)methyl]-4-methylsulfanylbenzene
SMILESCSc1ccc(C(=C2CCC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H17FS/c1-20-17-11-7-15(8-12-17)18(13-3-2-4-13)14-5-9-16(19)10-6-14/h5-12H,2-4H2,1H3
InChIKeyLKMRGBJKRBAQNS-UHFFFAOYSA-N
XLogP5.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.40
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[cyclobutylidene-(4-fluorophenyl)methyl]-4-methylsulfanylbenzene?
The IUPAC name of 1-[cyclobutylidene-(4-fluorophenyl)methyl]-4-methylsulfanylbenzene (CID 143047187) is 1-[cyclobutylidene-(4-fluorophenyl)methyl]-4-methylsulfanylbenzene.
What is the SMILES notation for 1-[cyclobutylidene-(4-fluorophenyl)methyl]-4-methylsulfanylbenzene?
The canonical SMILES for 1-[cyclobutylidene-(4-fluorophenyl)methyl]-4-methylsulfanylbenzene is CSc1ccc(C(=C2CCC2)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[cyclobutylidene-(4-fluorophenyl)methyl]-4-methylsulfanylbenzene?
The InChIKey is LKMRGBJKRBAQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FS/c1-20-17-11-7-15(8-12-17)18(13-3-2-4-13)14-5-9-16(19)10-6-14/h5-12H,2-4H2,1H3.
What are the key properties of 1-[cyclobutylidene-(4-fluorophenyl)methyl]-4-methylsulfanylbenzene?
1-[cyclobutylidene-(4-fluorophenyl)methyl]-4-methylsulfanylbenzene has a molecular weight of 284.40 g/mol, XLogP of 5.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclobutylidene-(4-fluorophenyl)methyl]-4-methylsulfanylbenzene is sourced from PubChem (CID 143047187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).