[(E)-2-chloro-2-phenylethenyl]-tetrafluoro-phenyl-λ6-sulfane

C14H11ClF4S — CID 90101282

IUPAC[(E)-2-chloro-2-phenylethenyl]-tetrafluoro-phenyl-λ6-sulfane
SMILESFS(F)(F)(F)(/C=C(/Cl)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H11ClF4S/c15-14(12-7-3-1-4-8-12)11-20(16,17,18,19)13-9-5-2-6-10-13/h1-11H/b14-11+
InChIKeyFDUUBTOIIDVMML-SDNWHVSQSA-N
MW322.75 g/mol
LogP6.70
Rot. Bonds3

About [(E)-2-chloro-2-phenylethenyl]-tetrafluoro-phenyl-λ6-sulfane

[(E)-2-chloro-2-phenylethenyl]-tetrafluoro-phenyl-λ6-sulfane (PubChem CID 90101282) has the molecular formula C14H11ClF4S and a molecular weight of 322.75 g/mol. Its IUPAC name is [(E)-2-chloro-2-phenylethenyl]-tetrafluoro-phenyl-λ6-sulfane.

Molecular Properties

Compound Name[(E)-2-chloro-2-phenylethenyl]-tetrafluoro-phenyl-λ6-sulfane
PubChem CID90101282
Molecular FormulaC14H11ClF4S
Molecular Weight322.75 g/mol
Exact Mass322.02
IUPAC Name[(E)-2-chloro-2-phenylethenyl]-tetrafluoro-phenyl-λ6-sulfane
SMILESFS(F)(F)(F)(/C=C(/Cl)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H11ClF4S/c15-14(12-7-3-1-4-8-12)11-20(16,17,18,19)13-9-5-2-6-10-13/h1-11H/b14-11+
InChIKeyFDUUBTOIIDVMML-SDNWHVSQSA-N
XLogP6.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.75
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-chloro-2-phenylethenyl]-tetrafluoro-phenyl-λ6-sulfane?
The IUPAC name of [(E)-2-chloro-2-phenylethenyl]-tetrafluoro-phenyl-λ6-sulfane (CID 90101282) is [(E)-2-chloro-2-phenylethenyl]-tetrafluoro-phenyl-λ6-sulfane.
What is the SMILES notation for [(E)-2-chloro-2-phenylethenyl]-tetrafluoro-phenyl-λ6-sulfane?
The canonical SMILES for [(E)-2-chloro-2-phenylethenyl]-tetrafluoro-phenyl-λ6-sulfane is FS(F)(F)(F)(/C=C(/Cl)c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-2-chloro-2-phenylethenyl]-tetrafluoro-phenyl-λ6-sulfane?
The InChIKey is FDUUBTOIIDVMML-SDNWHVSQSA-N. The full InChI is InChI=1S/C14H11ClF4S/c15-14(12-7-3-1-4-8-12)11-20(16,17,18,19)13-9-5-2-6-10-13/h1-11H/b14-11+.
What are the key properties of [(E)-2-chloro-2-phenylethenyl]-tetrafluoro-phenyl-λ6-sulfane?
[(E)-2-chloro-2-phenylethenyl]-tetrafluoro-phenyl-λ6-sulfane has a molecular weight of 322.75 g/mol, XLogP of 6.70, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-chloro-2-phenylethenyl]-tetrafluoro-phenyl-λ6-sulfane is sourced from PubChem (CID 90101282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).