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

C14H10BrClF4S — CID 90101301

IUPAC(4-bromophenyl)-[(E)-2-chloro-2-phenylethenyl]-tetrafluoro-λ6-sulfane
SMILESFS(F)(F)(F)(/C=C(/Cl)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C14H10BrClF4S/c15-12-6-8-13(9-7-12)21(17,18,19,20)10-14(16)11-4-2-1-3-5-11/h1-10H/b14-10+
InChIKeyMSLLIFNOZIZTFR-GXDHUFHOSA-N
MW401.65 g/mol
LogP7.46
Rot. Bonds3

About (4-bromophenyl)-[(E)-2-chloro-2-phenylethenyl]-tetrafluoro-λ6-sulfane

(4-bromophenyl)-[(E)-2-chloro-2-phenylethenyl]-tetrafluoro-λ6-sulfane (PubChem CID 90101301) has the molecular formula C14H10BrClF4S and a molecular weight of 401.65 g/mol. Its IUPAC name is (4-bromophenyl)-[(E)-2-chloro-2-phenylethenyl]-tetrafluoro-λ6-sulfane.

Molecular Properties

Compound Name(4-bromophenyl)-[(E)-2-chloro-2-phenylethenyl]-tetrafluoro-λ6-sulfane
PubChem CID90101301
Molecular FormulaC14H10BrClF4S
Molecular Weight401.65 g/mol
Exact Mass399.93
IUPAC Name(4-bromophenyl)-[(E)-2-chloro-2-phenylethenyl]-tetrafluoro-λ6-sulfane
SMILESFS(F)(F)(F)(/C=C(/Cl)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C14H10BrClF4S/c15-12-6-8-13(9-7-12)21(17,18,19,20)10-14(16)11-4-2-1-3-5-11/h1-10H/b14-10+
InChIKeyMSLLIFNOZIZTFR-GXDHUFHOSA-N
XLogP7.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.65
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[(E)-2-chloro-2-phenylethenyl]-tetrafluoro-λ6-sulfane?
The IUPAC name of (4-bromophenyl)-[(E)-2-chloro-2-phenylethenyl]-tetrafluoro-λ6-sulfane (CID 90101301) is (4-bromophenyl)-[(E)-2-chloro-2-phenylethenyl]-tetrafluoro-λ6-sulfane.
What is the SMILES notation for (4-bromophenyl)-[(E)-2-chloro-2-phenylethenyl]-tetrafluoro-λ6-sulfane?
The canonical SMILES for (4-bromophenyl)-[(E)-2-chloro-2-phenylethenyl]-tetrafluoro-λ6-sulfane is FS(F)(F)(F)(/C=C(/Cl)c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)-[(E)-2-chloro-2-phenylethenyl]-tetrafluoro-λ6-sulfane?
The InChIKey is MSLLIFNOZIZTFR-GXDHUFHOSA-N. The full InChI is InChI=1S/C14H10BrClF4S/c15-12-6-8-13(9-7-12)21(17,18,19,20)10-14(16)11-4-2-1-3-5-11/h1-10H/b14-10+.
What are the key properties of (4-bromophenyl)-[(E)-2-chloro-2-phenylethenyl]-tetrafluoro-λ6-sulfane?
(4-bromophenyl)-[(E)-2-chloro-2-phenylethenyl]-tetrafluoro-λ6-sulfane has a molecular weight of 401.65 g/mol, XLogP of 7.46, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[(E)-2-chloro-2-phenylethenyl]-tetrafluoro-λ6-sulfane is sourced from PubChem (CID 90101301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).