1-chloro-2-[(2-chloro-6-fluorophenyl)methylsulfanylmethyl]-3-fluorobenzene

C14H10Cl2F2S — CID 2804288

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

About 1-chloro-2-[(2-chloro-6-fluorophenyl)methylsulfanylmethyl]-3-fluorobenzene

1-chloro-2-[(2-chloro-6-fluorophenyl)methylsulfanylmethyl]-3-fluorobenzene (PubChem CID 2804288) has the molecular formula C14H10Cl2F2S and a molecular weight of 319.20 g/mol. Its IUPAC name is 1-chloro-2-[(2-chloro-6-fluorophenyl)methylsulfanylmethyl]-3-fluorobenzene.

Molecular Properties

Compound Name1-chloro-2-[(2-chloro-6-fluorophenyl)methylsulfanylmethyl]-3-fluorobenzene
PubChem CID2804288
Molecular FormulaC14H10Cl2F2S
Molecular Weight319.20 g/mol
Exact Mass317.98
IUPAC Name1-chloro-2-[(2-chloro-6-fluorophenyl)methylsulfanylmethyl]-3-fluorobenzene
SMILESFc1cccc(Cl)c1CSCc1c(F)cccc1Cl
InChIInChI=1S/C14H10Cl2F2S/c15-11-3-1-5-13(17)9(11)7-19-8-10-12(16)4-2-6-14(10)18/h1-6H,7-8H2
InChIKeyNNVGEGWFXIXJJO-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-chloro-2-[(2-chloro-6-fluorophenyl)methylsulfanylmethyl]-3-fluorobenzene?
The IUPAC name of 1-chloro-2-[(2-chloro-6-fluorophenyl)methylsulfanylmethyl]-3-fluorobenzene (CID 2804288) is 1-chloro-2-[(2-chloro-6-fluorophenyl)methylsulfanylmethyl]-3-fluorobenzene.
What is the SMILES notation for 1-chloro-2-[(2-chloro-6-fluorophenyl)methylsulfanylmethyl]-3-fluorobenzene?
The canonical SMILES for 1-chloro-2-[(2-chloro-6-fluorophenyl)methylsulfanylmethyl]-3-fluorobenzene is Fc1cccc(Cl)c1CSCc1c(F)cccc1Cl.
What is the InChIKey of 1-chloro-2-[(2-chloro-6-fluorophenyl)methylsulfanylmethyl]-3-fluorobenzene?
The InChIKey is NNVGEGWFXIXJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F2S/c15-11-3-1-5-13(17)9(11)7-19-8-10-12(16)4-2-6-14(10)18/h1-6H,7-8H2.
What are the key properties of 1-chloro-2-[(2-chloro-6-fluorophenyl)methylsulfanylmethyl]-3-fluorobenzene?
1-chloro-2-[(2-chloro-6-fluorophenyl)methylsulfanylmethyl]-3-fluorobenzene 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-chloro-2-[(2-chloro-6-fluorophenyl)methylsulfanylmethyl]-3-fluorobenzene is sourced from PubChem (CID 2804288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).