methane;1,2,3,4,5-pentafluoro-6-[(4-fluorophenyl)sulfanylmethylsulfanyl]benzene

C14H10F6S2 — CID 158080400

IUPACmethane;1,2,3,4,5-pentafluoro-6-[(4-fluorophenyl)sulfanylmethylsulfanyl]benzene
SMILESC.Fc1ccc(SCSc2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C13H6F6S2.CH4/c14-6-1-3-7(4-2-6)20-5-21-13-11(18)9(16)8(15)10(17)12(13)19;/h1-4H,5H2;1H4
InChIKeyFMWPIDRNIDEAMT-UHFFFAOYSA-N
MW356.36 g/mol
LogP6.00
Rot. Bonds4

About methane;1,2,3,4,5-pentafluoro-6-[(4-fluorophenyl)sulfanylmethylsulfanyl]benzene

methane;1,2,3,4,5-pentafluoro-6-[(4-fluorophenyl)sulfanylmethylsulfanyl]benzene (PubChem CID 158080400) has the molecular formula C14H10F6S2 and a molecular weight of 356.36 g/mol. Its IUPAC name is methane;1,2,3,4,5-pentafluoro-6-[(4-fluorophenyl)sulfanylmethylsulfanyl]benzene.

Molecular Properties

Compound Namemethane;1,2,3,4,5-pentafluoro-6-[(4-fluorophenyl)sulfanylmethylsulfanyl]benzene
PubChem CID158080400
Molecular FormulaC14H10F6S2
Molecular Weight356.36 g/mol
Exact Mass356.01
IUPAC Namemethane;1,2,3,4,5-pentafluoro-6-[(4-fluorophenyl)sulfanylmethylsulfanyl]benzene
SMILESC.Fc1ccc(SCSc2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C13H6F6S2.CH4/c14-6-1-3-7(4-2-6)20-5-21-13-11(18)9(16)8(15)10(17)12(13)19;/h1-4H,5H2;1H4
InChIKeyFMWPIDRNIDEAMT-UHFFFAOYSA-N
XLogP6.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.36
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze methane;1,2,3,4,5-pentafluoro-6-[(4-fluorophenyl)sulfanylmethylsulfanyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methane;1,2,3,4,5-pentafluoro-6-[(4-fluorophenyl)sulfanylmethylsulfanyl]benzene?
The IUPAC name of methane;1,2,3,4,5-pentafluoro-6-[(4-fluorophenyl)sulfanylmethylsulfanyl]benzene (CID 158080400) is methane;1,2,3,4,5-pentafluoro-6-[(4-fluorophenyl)sulfanylmethylsulfanyl]benzene.
What is the SMILES notation for methane;1,2,3,4,5-pentafluoro-6-[(4-fluorophenyl)sulfanylmethylsulfanyl]benzene?
The canonical SMILES for methane;1,2,3,4,5-pentafluoro-6-[(4-fluorophenyl)sulfanylmethylsulfanyl]benzene is C.Fc1ccc(SCSc2c(F)c(F)c(F)c(F)c2F)cc1.
What is the InChIKey of methane;1,2,3,4,5-pentafluoro-6-[(4-fluorophenyl)sulfanylmethylsulfanyl]benzene?
The InChIKey is FMWPIDRNIDEAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F6S2.CH4/c14-6-1-3-7(4-2-6)20-5-21-13-11(18)9(16)8(15)10(17)12(13)19;/h1-4H,5H2;1H4.
What are the key properties of methane;1,2,3,4,5-pentafluoro-6-[(4-fluorophenyl)sulfanylmethylsulfanyl]benzene?
methane;1,2,3,4,5-pentafluoro-6-[(4-fluorophenyl)sulfanylmethylsulfanyl]benzene has a molecular weight of 356.36 g/mol, XLogP of 6.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1,2,3,4,5-pentafluoro-6-[(4-fluorophenyl)sulfanylmethylsulfanyl]benzene is sourced from PubChem (CID 158080400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).