2-chloro-1,3,5-trifluorobenzene;tetrafluoro-λ4-sulfane

C6H2ClF7S — CID 162247264

IUPAC2-chloro-1,3,5-trifluorobenzene;tetrafluoro-λ4-sulfane
SMILESFS(F)(F)F.Fc1cc(F)c(Cl)c(F)c1
InChIInChI=1S/C6H2ClF3.F4S/c7-6-4(9)1-3(8)2-5(6)10;1-5(2,3)4/h1-2H;
InChIKeyZXMULKKSEPZCDO-UHFFFAOYSA-N
MW274.59 g/mol
LogP5.09
Rot. Bonds

About 2-chloro-1,3,5-trifluorobenzene;tetrafluoro-λ4-sulfane

2-chloro-1,3,5-trifluorobenzene;tetrafluoro-λ4-sulfane (PubChem CID 162247264) has the molecular formula C6H2ClF7S and a molecular weight of 274.59 g/mol. Its IUPAC name is 2-chloro-1,3,5-trifluorobenzene;tetrafluoro-λ4-sulfane.

Molecular Properties

Compound Name2-chloro-1,3,5-trifluorobenzene;tetrafluoro-λ4-sulfane
PubChem CID162247264
Molecular FormulaC6H2ClF7S
Molecular Weight274.59 g/mol
Exact Mass273.95
IUPAC Name2-chloro-1,3,5-trifluorobenzene;tetrafluoro-λ4-sulfane
SMILESFS(F)(F)F.Fc1cc(F)c(Cl)c(F)c1
InChIInChI=1S/C6H2ClF3.F4S/c7-6-4(9)1-3(8)2-5(6)10;1-5(2,3)4/h1-2H;
InChIKeyZXMULKKSEPZCDO-UHFFFAOYSA-N
XLogP5.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.59
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,3,5-trifluorobenzene;tetrafluoro-λ4-sulfane?
The IUPAC name of 2-chloro-1,3,5-trifluorobenzene;tetrafluoro-λ4-sulfane (CID 162247264) is 2-chloro-1,3,5-trifluorobenzene;tetrafluoro-λ4-sulfane.
What is the SMILES notation for 2-chloro-1,3,5-trifluorobenzene;tetrafluoro-λ4-sulfane?
The canonical SMILES for 2-chloro-1,3,5-trifluorobenzene;tetrafluoro-λ4-sulfane is FS(F)(F)F.Fc1cc(F)c(Cl)c(F)c1.
What is the InChIKey of 2-chloro-1,3,5-trifluorobenzene;tetrafluoro-λ4-sulfane?
The InChIKey is ZXMULKKSEPZCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClF3.F4S/c7-6-4(9)1-3(8)2-5(6)10;1-5(2,3)4/h1-2H;.
What are the key properties of 2-chloro-1,3,5-trifluorobenzene;tetrafluoro-λ4-sulfane?
2-chloro-1,3,5-trifluorobenzene;tetrafluoro-λ4-sulfane has a molecular weight of 274.59 g/mol, XLogP of 5.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,3,5-trifluorobenzene;tetrafluoro-λ4-sulfane is sourced from PubChem (CID 162247264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).