1-(3,5-difluoro-2-methylphenyl)sulfanyl-3,5-difluoro-2-methylbenzene

C14H10F4S — CID 66729776

IUPAC1-(3,5-difluoro-2-methylphenyl)sulfanyl-3,5-difluoro-2-methylbenzene
SMILESCc1c(F)cc(F)cc1Sc1cc(F)cc(F)c1C
InChIInChI=1S/C14H10F4S/c1-7-11(17)3-9(15)5-13(7)19-14-6-10(16)4-12(18)8(14)2/h3-6H,1-2H3
InChIKeyRYFHYFCSEGBFNN-UHFFFAOYSA-N
MW286.29 g/mol
LogP5.01
Rot. Bonds2

About 1-(3,5-difluoro-2-methylphenyl)sulfanyl-3,5-difluoro-2-methylbenzene

1-(3,5-difluoro-2-methylphenyl)sulfanyl-3,5-difluoro-2-methylbenzene (PubChem CID 66729776) has the molecular formula C14H10F4S and a molecular weight of 286.29 g/mol. Its IUPAC name is 1-(3,5-difluoro-2-methylphenyl)sulfanyl-3,5-difluoro-2-methylbenzene.

Molecular Properties

Compound Name1-(3,5-difluoro-2-methylphenyl)sulfanyl-3,5-difluoro-2-methylbenzene
PubChem CID66729776
Molecular FormulaC14H10F4S
Molecular Weight286.29 g/mol
Exact Mass286.04
IUPAC Name1-(3,5-difluoro-2-methylphenyl)sulfanyl-3,5-difluoro-2-methylbenzene
SMILESCc1c(F)cc(F)cc1Sc1cc(F)cc(F)c1C
InChIInChI=1S/C14H10F4S/c1-7-11(17)3-9(15)5-13(7)19-14-6-10(16)4-12(18)8(14)2/h3-6H,1-2H3
InChIKeyRYFHYFCSEGBFNN-UHFFFAOYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.29
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluoro-2-methylphenyl)sulfanyl-3,5-difluoro-2-methylbenzene?
The IUPAC name of 1-(3,5-difluoro-2-methylphenyl)sulfanyl-3,5-difluoro-2-methylbenzene (CID 66729776) is 1-(3,5-difluoro-2-methylphenyl)sulfanyl-3,5-difluoro-2-methylbenzene.
What is the SMILES notation for 1-(3,5-difluoro-2-methylphenyl)sulfanyl-3,5-difluoro-2-methylbenzene?
The canonical SMILES for 1-(3,5-difluoro-2-methylphenyl)sulfanyl-3,5-difluoro-2-methylbenzene is Cc1c(F)cc(F)cc1Sc1cc(F)cc(F)c1C.
What is the InChIKey of 1-(3,5-difluoro-2-methylphenyl)sulfanyl-3,5-difluoro-2-methylbenzene?
The InChIKey is RYFHYFCSEGBFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4S/c1-7-11(17)3-9(15)5-13(7)19-14-6-10(16)4-12(18)8(14)2/h3-6H,1-2H3.
What are the key properties of 1-(3,5-difluoro-2-methylphenyl)sulfanyl-3,5-difluoro-2-methylbenzene?
1-(3,5-difluoro-2-methylphenyl)sulfanyl-3,5-difluoro-2-methylbenzene has a molecular weight of 286.29 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluoro-2-methylphenyl)sulfanyl-3,5-difluoro-2-methylbenzene is sourced from PubChem (CID 66729776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).