1,2,3,4-tetrafluoro-5-[fluoro-[[fluoro-(2,3,4,5-tetrafluorophenyl)methyl]disulfanyl]methyl]benzene

C14H4F10S2 — CID 20977462

IUPAC1,2,3,4-tetrafluoro-5-[fluoro-[[fluoro-(2,3,4,5-tetrafluorophenyl)methyl]disulfanyl]methyl]benzene
SMILESFc1cc(C(F)SSC(F)c2cc(F)c(F)c(F)c2F)c(F)c(F)c1F
InChIInChI=1S/C14H4F10S2/c15-5-1-3(7(17)11(21)9(5)19)13(23)25-26-14(24)4-2-6(16)10(20)12(22)8(4)18/h1-2,13-14H
InChIKeyHNRVFMAVBSOYHP-UHFFFAOYSA-N
MW426.30 g/mol
LogP6.82
Rot. Bonds5

About 1,2,3,4-tetrafluoro-5-[fluoro-[[fluoro-(2,3,4,5-tetrafluorophenyl)methyl]disulfanyl]methyl]benzene

1,2,3,4-tetrafluoro-5-[fluoro-[[fluoro-(2,3,4,5-tetrafluorophenyl)methyl]disulfanyl]methyl]benzene (PubChem CID 20977462) has the molecular formula C14H4F10S2 and a molecular weight of 426.30 g/mol. Its IUPAC name is 1,2,3,4-tetrafluoro-5-[fluoro-[[fluoro-(2,3,4,5-tetrafluorophenyl)methyl]disulfanyl]methyl]benzene.

Molecular Properties

Compound Name1,2,3,4-tetrafluoro-5-[fluoro-[[fluoro-(2,3,4,5-tetrafluorophenyl)methyl]disulfanyl]methyl]benzene
PubChem CID20977462
Molecular FormulaC14H4F10S2
Molecular Weight426.30 g/mol
Exact Mass425.96
IUPAC Name1,2,3,4-tetrafluoro-5-[fluoro-[[fluoro-(2,3,4,5-tetrafluorophenyl)methyl]disulfanyl]methyl]benzene
SMILESFc1cc(C(F)SSC(F)c2cc(F)c(F)c(F)c2F)c(F)c(F)c1F
InChIInChI=1S/C14H4F10S2/c15-5-1-3(7(17)11(21)9(5)19)13(23)25-26-14(24)4-2-6(16)10(20)12(22)8(4)18/h1-2,13-14H
InChIKeyHNRVFMAVBSOYHP-UHFFFAOYSA-N
XLogP6.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.30
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

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1,2,3,4-tetrafluoro-5-[(2,3,4,5-tetrafluorophenyl)disulfanyl]benzene
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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrafluoro-5-[fluoro-[[fluoro-(2,3,4,5-tetrafluorophenyl)methyl]disulfanyl]methyl]benzene?
The IUPAC name of 1,2,3,4-tetrafluoro-5-[fluoro-[[fluoro-(2,3,4,5-tetrafluorophenyl)methyl]disulfanyl]methyl]benzene (CID 20977462) is 1,2,3,4-tetrafluoro-5-[fluoro-[[fluoro-(2,3,4,5-tetrafluorophenyl)methyl]disulfanyl]methyl]benzene.
What is the SMILES notation for 1,2,3,4-tetrafluoro-5-[fluoro-[[fluoro-(2,3,4,5-tetrafluorophenyl)methyl]disulfanyl]methyl]benzene?
The canonical SMILES for 1,2,3,4-tetrafluoro-5-[fluoro-[[fluoro-(2,3,4,5-tetrafluorophenyl)methyl]disulfanyl]methyl]benzene is Fc1cc(C(F)SSC(F)c2cc(F)c(F)c(F)c2F)c(F)c(F)c1F.
What is the InChIKey of 1,2,3,4-tetrafluoro-5-[fluoro-[[fluoro-(2,3,4,5-tetrafluorophenyl)methyl]disulfanyl]methyl]benzene?
The InChIKey is HNRVFMAVBSOYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H4F10S2/c15-5-1-3(7(17)11(21)9(5)19)13(23)25-26-14(24)4-2-6(16)10(20)12(22)8(4)18/h1-2,13-14H.
What are the key properties of 1,2,3,4-tetrafluoro-5-[fluoro-[[fluoro-(2,3,4,5-tetrafluorophenyl)methyl]disulfanyl]methyl]benzene?
1,2,3,4-tetrafluoro-5-[fluoro-[[fluoro-(2,3,4,5-tetrafluorophenyl)methyl]disulfanyl]methyl]benzene has a molecular weight of 426.30 g/mol, XLogP of 6.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrafluoro-5-[fluoro-[[fluoro-(2,3,4,5-tetrafluorophenyl)methyl]disulfanyl]methyl]benzene is sourced from PubChem (CID 20977462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).