1-(4-fluorophenyl)-3-(3-fluorophenyl)sulfanyl-5-methylbenzene

C19H14F2S — CID 139249062

IUPAC1-(4-fluorophenyl)-3-(3-fluorophenyl)sulfanyl-5-methylbenzene
SMILESCc1cc(Sc2cccc(F)c2)cc(-c2ccc(F)cc2)c1
InChIInChI=1S/C19H14F2S/c1-13-9-15(14-5-7-16(20)8-6-14)11-19(10-13)22-18-4-2-3-17(21)12-18/h2-12H,1H3
InChIKeyHYRZPOSRBGNNJV-UHFFFAOYSA-N
MW312.38 g/mol
LogP6.09
Rot. Bonds3

About 1-(4-fluorophenyl)-3-(3-fluorophenyl)sulfanyl-5-methylbenzene

1-(4-fluorophenyl)-3-(3-fluorophenyl)sulfanyl-5-methylbenzene (PubChem CID 139249062) has the molecular formula C19H14F2S and a molecular weight of 312.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(3-fluorophenyl)sulfanyl-5-methylbenzene.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(3-fluorophenyl)sulfanyl-5-methylbenzene
PubChem CID139249062
Molecular FormulaC19H14F2S
Molecular Weight312.38 g/mol
Exact Mass312.08
IUPAC Name1-(4-fluorophenyl)-3-(3-fluorophenyl)sulfanyl-5-methylbenzene
SMILESCc1cc(Sc2cccc(F)c2)cc(-c2ccc(F)cc2)c1
InChIInChI=1S/C19H14F2S/c1-13-9-15(14-5-7-16(20)8-6-14)11-19(10-13)22-18-4-2-3-17(21)12-18/h2-12H,1H3
InChIKeyHYRZPOSRBGNNJV-UHFFFAOYSA-N
XLogP6.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.38
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-Biphenylyl phenyl sulfide
CID 4387159
(4'-Fluorobiphenyl-3-yl)(methyl)sulfane
CID 44392656
Diphenyl(2,4,6-trimethylphenyl)sulfanium
CID 17834769
Benzene, 1,1'-[2-methyl-2-(phenylthio)cyclopropylidene]bis-
CID 609923
[2,2,3,3,3-Pentafluoro-1,1-bis(phenylsulfanyl)propyl]benzene
CID 11729607
1-Fluoro-4-[2-(4-fluorophenyl)sulfanyl-1-phenylethyl]sulfanylbenzene
CID 101808192
1-(4-Bromophenyl)sulfanyl-3-(4-fluorophenyl)-5-methylbenzene
CID 139249060
1-(2,6-Dimethylphenyl)sulfanyl-3-(4-fluorophenyl)-5-methylbenzene
CID 139249061
1-[3-(4-Fluorophenyl)-5-methylphenyl]sulfanylnaphthalene
CID 139249064
1-Benzylsulfanyl-3-(4-fluorophenyl)-5-methylbenzene
CID 139249065
1-[1,2-Bis(phenylsulfanyl)ethyl]-4-fluorobenzene
CID 154706960
[1,1-Bis(phenylthio)-2,2,2-trifluoroethyl]benzene
CID 11068839

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(3-fluorophenyl)sulfanyl-5-methylbenzene?
The IUPAC name of 1-(4-fluorophenyl)-3-(3-fluorophenyl)sulfanyl-5-methylbenzene (CID 139249062) is 1-(4-fluorophenyl)-3-(3-fluorophenyl)sulfanyl-5-methylbenzene.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(3-fluorophenyl)sulfanyl-5-methylbenzene?
The canonical SMILES for 1-(4-fluorophenyl)-3-(3-fluorophenyl)sulfanyl-5-methylbenzene is Cc1cc(Sc2cccc(F)c2)cc(-c2ccc(F)cc2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(3-fluorophenyl)sulfanyl-5-methylbenzene?
The InChIKey is HYRZPOSRBGNNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2S/c1-13-9-15(14-5-7-16(20)8-6-14)11-19(10-13)22-18-4-2-3-17(21)12-18/h2-12H,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-(3-fluorophenyl)sulfanyl-5-methylbenzene?
1-(4-fluorophenyl)-3-(3-fluorophenyl)sulfanyl-5-methylbenzene has a molecular weight of 312.38 g/mol, XLogP of 6.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(3-fluorophenyl)sulfanyl-5-methylbenzene is sourced from PubChem (CID 139249062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).