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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Related Compounds

1-Chloro-2-fluorobenzene
CID 9583
Benzene, 2,4-dichloro-1-fluoro-
CID 123112
2,5-Dichlorofluorobenzene
CID 136173
Benzene, 1-chloro-4-fluoro-
CID 9604
1-Chloro-3-fluorobenzene
CID 223087
4-Chloro-2-fluoro-1-iodobenzene
CID 2736562
1,3-Dichloro-2-fluorobenzene
CID 137520
2-Chloro-1-fluoro-4-iodobenzene
CID 2724605
4-Chloro-1-fluoro-2-iodobenzene
CID 2773652
4-Chloro-1,2-difluorobenzene
CID 136519
Benzene, 1-chloro-3,5-difluoro-
CID 137000
1-Chloro-2,4-difluorobenzene
CID 137001

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).