1,3-dichloro-2-[(2,6-difluorophenyl)methylsulfanylmethyl]benzene

C14H10Cl2F2S — CID 59882014

IUPAC1,3-dichloro-2-[(2,6-difluorophenyl)methylsulfanylmethyl]benzene
SMILESFc1cccc(F)c1CSCc1c(Cl)cccc1Cl
InChIInChI=1S/C14H10Cl2F2S/c15-11-3-1-4-12(16)9(11)7-19-8-10-13(17)5-2-6-14(10)18/h1-6H,7-8H2
InChIKeyUBEWUFFXUYGTDH-UHFFFAOYSA-N
MW319.20 g/mol
LogP5.70
Rot. Bonds4

About 1,3-dichloro-2-[(2,6-difluorophenyl)methylsulfanylmethyl]benzene

1,3-dichloro-2-[(2,6-difluorophenyl)methylsulfanylmethyl]benzene (PubChem CID 59882014) has the molecular formula C14H10Cl2F2S and a molecular weight of 319.20 g/mol. Its IUPAC name is 1,3-dichloro-2-[(2,6-difluorophenyl)methylsulfanylmethyl]benzene.

Molecular Properties

Compound Name1,3-dichloro-2-[(2,6-difluorophenyl)methylsulfanylmethyl]benzene
PubChem CID59882014
Molecular FormulaC14H10Cl2F2S
Molecular Weight319.20 g/mol
Exact Mass317.98
IUPAC Name1,3-dichloro-2-[(2,6-difluorophenyl)methylsulfanylmethyl]benzene
SMILESFc1cccc(F)c1CSCc1c(Cl)cccc1Cl
InChIInChI=1S/C14H10Cl2F2S/c15-11-3-1-4-12(16)9(11)7-19-8-10-13(17)5-2-6-14(10)18/h1-6H,7-8H2
InChIKeyUBEWUFFXUYGTDH-UHFFFAOYSA-N
XLogP5.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.20
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-[(2,6-difluorophenyl)methylsulfanylmethyl]benzene?
The IUPAC name of 1,3-dichloro-2-[(2,6-difluorophenyl)methylsulfanylmethyl]benzene (CID 59882014) is 1,3-dichloro-2-[(2,6-difluorophenyl)methylsulfanylmethyl]benzene.
What is the SMILES notation for 1,3-dichloro-2-[(2,6-difluorophenyl)methylsulfanylmethyl]benzene?
The canonical SMILES for 1,3-dichloro-2-[(2,6-difluorophenyl)methylsulfanylmethyl]benzene is Fc1cccc(F)c1CSCc1c(Cl)cccc1Cl.
What is the InChIKey of 1,3-dichloro-2-[(2,6-difluorophenyl)methylsulfanylmethyl]benzene?
The InChIKey is UBEWUFFXUYGTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F2S/c15-11-3-1-4-12(16)9(11)7-19-8-10-13(17)5-2-6-14(10)18/h1-6H,7-8H2.
What are the key properties of 1,3-dichloro-2-[(2,6-difluorophenyl)methylsulfanylmethyl]benzene?
1,3-dichloro-2-[(2,6-difluorophenyl)methylsulfanylmethyl]benzene has a molecular weight of 319.20 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-[(2,6-difluorophenyl)methylsulfanylmethyl]benzene is sourced from PubChem (CID 59882014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).