1,2,4,5-tetrafluoro-3,6-bis(phenylsulfanyl)benzene

C18H10F4S2 — CID 13231606

IUPAC1,2,4,5-tetrafluoro-3,6-bis(phenylsulfanyl)benzene
SMILESFc1c(F)c(Sc2ccccc2)c(F)c(F)c1Sc1ccccc1
InChIInChI=1S/C18H10F4S2/c19-13-15(21)18(24-12-9-5-2-6-10-12)16(22)14(20)17(13)23-11-7-3-1-4-8-11/h1-10H
InChIKeyRRVJVCMUQWDHDN-UHFFFAOYSA-N
MW366.40 g/mol
LogP6.55
Rot. Bonds4

About 1,2,4,5-tetrafluoro-3,6-bis(phenylsulfanyl)benzene

1,2,4,5-tetrafluoro-3,6-bis(phenylsulfanyl)benzene (PubChem CID 13231606) has the molecular formula C18H10F4S2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 1,2,4,5-tetrafluoro-3,6-bis(phenylsulfanyl)benzene.

Molecular Properties

Compound Name1,2,4,5-tetrafluoro-3,6-bis(phenylsulfanyl)benzene
PubChem CID13231606
Molecular FormulaC18H10F4S2
Molecular Weight366.40 g/mol
Exact Mass366.02
IUPAC Name1,2,4,5-tetrafluoro-3,6-bis(phenylsulfanyl)benzene
SMILESFc1c(F)c(Sc2ccccc2)c(F)c(F)c1Sc1ccccc1
InChIInChI=1S/C18H10F4S2/c19-13-15(21)18(24-12-9-5-2-6-10-12)16(22)14(20)17(13)23-11-7-3-1-4-8-11/h1-10H
InChIKeyRRVJVCMUQWDHDN-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.40
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 1,2,4,5-tetrafluoro-3,6-bis(phenylsulfanyl)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 1,2,4,5-tetrafluoro-3,6-bis(phenylsulfanyl)benzene?
The IUPAC name of 1,2,4,5-tetrafluoro-3,6-bis(phenylsulfanyl)benzene (CID 13231606) is 1,2,4,5-tetrafluoro-3,6-bis(phenylsulfanyl)benzene.
What is the SMILES notation for 1,2,4,5-tetrafluoro-3,6-bis(phenylsulfanyl)benzene?
The canonical SMILES for 1,2,4,5-tetrafluoro-3,6-bis(phenylsulfanyl)benzene is Fc1c(F)c(Sc2ccccc2)c(F)c(F)c1Sc1ccccc1.
What is the InChIKey of 1,2,4,5-tetrafluoro-3,6-bis(phenylsulfanyl)benzene?
The InChIKey is RRVJVCMUQWDHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F4S2/c19-13-15(21)18(24-12-9-5-2-6-10-12)16(22)14(20)17(13)23-11-7-3-1-4-8-11/h1-10H.
What are the key properties of 1,2,4,5-tetrafluoro-3,6-bis(phenylsulfanyl)benzene?
1,2,4,5-tetrafluoro-3,6-bis(phenylsulfanyl)benzene has a molecular weight of 366.40 g/mol, XLogP of 6.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrafluoro-3,6-bis(phenylsulfanyl)benzene is sourced from PubChem (CID 13231606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).