(2,3,4,5-tetrafluoro-6-phosphanylsulfanylphenyl) thiohypofluorite

C6H2F5PS2 — CID 170719558

IUPAC(2,3,4,5-tetrafluoro-6-phosphanylsulfanylphenyl) thiohypofluorite
SMILESFSc1c(F)c(F)c(F)c(F)c1SP
InChIInChI=1S/C6H2F5PS2/c7-1-2(8)4(10)6(14-12)5(13-11)3(1)9/h12H2
InChIKeyLODZDKIJDGPZSO-UHFFFAOYSA-N
MW264.18 g/mol
LogP4.10
Rot. Bonds2

About (2,3,4,5-tetrafluoro-6-phosphanylsulfanylphenyl) thiohypofluorite

(2,3,4,5-tetrafluoro-6-phosphanylsulfanylphenyl) thiohypofluorite (PubChem CID 170719558) has the molecular formula C6H2F5PS2 and a molecular weight of 264.18 g/mol. Its IUPAC name is (2,3,4,5-tetrafluoro-6-phosphanylsulfanylphenyl) thiohypofluorite.

Molecular Properties

Compound Name(2,3,4,5-tetrafluoro-6-phosphanylsulfanylphenyl) thiohypofluorite
PubChem CID170719558
Molecular FormulaC6H2F5PS2
Molecular Weight264.18 g/mol
Exact Mass263.93
IUPAC Name(2,3,4,5-tetrafluoro-6-phosphanylsulfanylphenyl) thiohypofluorite
SMILESFSc1c(F)c(F)c(F)c(F)c1SP
InChIInChI=1S/C6H2F5PS2/c7-1-2(8)4(10)6(14-12)5(13-11)3(1)9/h12H2
InChIKeyLODZDKIJDGPZSO-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.18
LogP ≤ 54.10
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': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]sulfanylphenyl]benzene
CID 87931007
1,2,4,5,6,8-hexafluoro-3,7-bis[(2,3,4,5,6-pentafluorophenyl)sulfanyl]naphthalene
CID 2849409
1,2,3,4,5-pentafluoro-6-(methyldisulfanyl)benzene
CID 87156064
ethane;1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)sulfanylamino]sulfanylbenzene
CID 144769240
dimethyl-(2,3,4,5,6-pentafluorophenyl)sulfanylalumane
CID 140617822
CID 159997610
CID 159997610
1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]sulfanylbenzene
CID 177256045
2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetic acid
CID 16773551
1,2,3,4-tetrafluoro-5,6-bis(phenylsulfanyl)benzene
CID 12686597
1,2,3,4,5-pentafluoro-6-isocyanatosulfanylbenzene
CID 141488066
1,2,3,4,5-pentafluoro-6-prop-2-enylsulfanylbenzene
CID 12713502
nickel;bis(3,4,5,6-tetrafluorobenzene-1,2-dithiolate)
CID 153483427

Frequently Asked Questions

What is the IUPAC name of (2,3,4,5-tetrafluoro-6-phosphanylsulfanylphenyl) thiohypofluorite?
The IUPAC name of (2,3,4,5-tetrafluoro-6-phosphanylsulfanylphenyl) thiohypofluorite (CID 170719558) is (2,3,4,5-tetrafluoro-6-phosphanylsulfanylphenyl) thiohypofluorite.
What is the SMILES notation for (2,3,4,5-tetrafluoro-6-phosphanylsulfanylphenyl) thiohypofluorite?
The canonical SMILES for (2,3,4,5-tetrafluoro-6-phosphanylsulfanylphenyl) thiohypofluorite is FSc1c(F)c(F)c(F)c(F)c1SP.
What is the InChIKey of (2,3,4,5-tetrafluoro-6-phosphanylsulfanylphenyl) thiohypofluorite?
The InChIKey is LODZDKIJDGPZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F5PS2/c7-1-2(8)4(10)6(14-12)5(13-11)3(1)9/h12H2.
What are the key properties of (2,3,4,5-tetrafluoro-6-phosphanylsulfanylphenyl) thiohypofluorite?
(2,3,4,5-tetrafluoro-6-phosphanylsulfanylphenyl) thiohypofluorite has a molecular weight of 264.18 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5-tetrafluoro-6-phosphanylsulfanylphenyl) thiohypofluorite is sourced from PubChem (CID 170719558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).