1-fluoro-4-(4-fluoro-3-methylphenyl)sulfanyl-2-methylbenzene

C14H12F2S — CID 141268136

IUPAC1-fluoro-4-(4-fluoro-3-methylphenyl)sulfanyl-2-methylbenzene
SMILESCc1cc(Sc2ccc(F)c(C)c2)ccc1F
InChIInChI=1S/C14H12F2S/c1-9-7-11(3-5-13(9)15)17-12-4-6-14(16)10(2)8-12/h3-8H,1-2H3
InChIKeyJKSKUJYDVPYNBF-UHFFFAOYSA-N
MW250.31 g/mol
LogP4.73
Rot. Bonds2

About 1-fluoro-4-(4-fluoro-3-methylphenyl)sulfanyl-2-methylbenzene

1-fluoro-4-(4-fluoro-3-methylphenyl)sulfanyl-2-methylbenzene (PubChem CID 141268136) has the molecular formula C14H12F2S and a molecular weight of 250.31 g/mol. Its IUPAC name is 1-fluoro-4-(4-fluoro-3-methylphenyl)sulfanyl-2-methylbenzene.

Molecular Properties

Compound Name1-fluoro-4-(4-fluoro-3-methylphenyl)sulfanyl-2-methylbenzene
PubChem CID141268136
Molecular FormulaC14H12F2S
Molecular Weight250.31 g/mol
Exact Mass250.06
IUPAC Name1-fluoro-4-(4-fluoro-3-methylphenyl)sulfanyl-2-methylbenzene
SMILESCc1cc(Sc2ccc(F)c(C)c2)ccc1F
InChIInChI=1S/C14H12F2S/c1-9-7-11(3-5-13(9)15)17-12-4-6-14(16)10(2)8-12/h3-8H,1-2H3
InChIKeyJKSKUJYDVPYNBF-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(4-fluoro-3-methylphenyl)sulfanylpyridine-2-carboxylic acid
CID 117032191
(4-fluoro-3-methylphenyl)sulfanylhydrazine
CID 117036003
(4-fluoro-3-methylphenyl)sulfanylmethanethiol
CID 117033691
1-fluoro-2-methyl-4-prop-2-enylsulfanylbenzene
CID 91655286
1-(4-fluoro-3-methylphenyl)sulfanylpropan-2-one
CID 117034104
2-[2-(4-fluoro-3-methylphenyl)sulfanylethoxy]ethanamine
CID 94685068
ethane;1-fluoro-2,4-dimethylbenzene
CID 123541236
1,2-dimethyl-4-[4-(4-methylphenyl)sulfanylphenyl]sulfanylbenzene
CID 135192592
2-fluoro-4-(3-fluoro-4-methylsulfanylphenyl)sulfanyl-1-methylsulfanylbenzene
CID 139623503
(4-fluoro-3-methylphenyl)-(4-methylsulfanylphenyl)methanamine
CID 79747463
S-(4-fluoro-3-methylphenyl)thiohydroxylamine;thiomorpholine
CID 145239891
1-[1-(4-fluoro-3-methylphenyl)sulfanylcyclopropyl]-N-methylmethanamine
CID 117034879

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(4-fluoro-3-methylphenyl)sulfanyl-2-methylbenzene?
The IUPAC name of 1-fluoro-4-(4-fluoro-3-methylphenyl)sulfanyl-2-methylbenzene (CID 141268136) is 1-fluoro-4-(4-fluoro-3-methylphenyl)sulfanyl-2-methylbenzene.
What is the SMILES notation for 1-fluoro-4-(4-fluoro-3-methylphenyl)sulfanyl-2-methylbenzene?
The canonical SMILES for 1-fluoro-4-(4-fluoro-3-methylphenyl)sulfanyl-2-methylbenzene is Cc1cc(Sc2ccc(F)c(C)c2)ccc1F.
What is the InChIKey of 1-fluoro-4-(4-fluoro-3-methylphenyl)sulfanyl-2-methylbenzene?
The InChIKey is JKSKUJYDVPYNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2S/c1-9-7-11(3-5-13(9)15)17-12-4-6-14(16)10(2)8-12/h3-8H,1-2H3.
What are the key properties of 1-fluoro-4-(4-fluoro-3-methylphenyl)sulfanyl-2-methylbenzene?
1-fluoro-4-(4-fluoro-3-methylphenyl)sulfanyl-2-methylbenzene has a molecular weight of 250.31 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(4-fluoro-3-methylphenyl)sulfanyl-2-methylbenzene is sourced from PubChem (CID 141268136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).