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

C14H10Cl2F4S — CID 90101402

IUPAC(4-chlorophenyl)-[(E)-2-chloro-2-phenylethenyl]-tetrafluoro-λ6-sulfane
SMILESFS(F)(F)(F)(/C=C(/Cl)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H10Cl2F4S/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+
InChIKeyNMHAYOMOUAMCMY-GXDHUFHOSA-N
MW357.20 g/mol
LogP7.35
Rot. Bonds3

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

(4-chlorophenyl)-[(E)-2-chloro-2-phenylethenyl]-tetrafluoro-λ6-sulfane (PubChem CID 90101402) has the molecular formula C14H10Cl2F4S and a molecular weight of 357.20 g/mol. Its IUPAC name is (4-chlorophenyl)-[(E)-2-chloro-2-phenylethenyl]-tetrafluoro-λ6-sulfane.

Molecular Properties

Compound Name(4-chlorophenyl)-[(E)-2-chloro-2-phenylethenyl]-tetrafluoro-λ6-sulfane
PubChem CID90101402
Molecular FormulaC14H10Cl2F4S
Molecular Weight357.20 g/mol
Exact Mass355.98
IUPAC Name(4-chlorophenyl)-[(E)-2-chloro-2-phenylethenyl]-tetrafluoro-λ6-sulfane
SMILESFS(F)(F)(F)(/C=C(/Cl)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H10Cl2F4S/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+
InChIKeyNMHAYOMOUAMCMY-GXDHUFHOSA-N
XLogP7.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.20
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[(E)-2-chloro-2-phenylethenyl]-tetrafluoro-λ6-sulfane?
The IUPAC name of (4-chlorophenyl)-[(E)-2-chloro-2-phenylethenyl]-tetrafluoro-λ6-sulfane (CID 90101402) is (4-chlorophenyl)-[(E)-2-chloro-2-phenylethenyl]-tetrafluoro-λ6-sulfane.
What is the SMILES notation for (4-chlorophenyl)-[(E)-2-chloro-2-phenylethenyl]-tetrafluoro-λ6-sulfane?
The canonical SMILES for (4-chlorophenyl)-[(E)-2-chloro-2-phenylethenyl]-tetrafluoro-λ6-sulfane is FS(F)(F)(F)(/C=C(/Cl)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)-[(E)-2-chloro-2-phenylethenyl]-tetrafluoro-λ6-sulfane?
The InChIKey is NMHAYOMOUAMCMY-GXDHUFHOSA-N. The full InChI is InChI=1S/C14H10Cl2F4S/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-chlorophenyl)-[(E)-2-chloro-2-phenylethenyl]-tetrafluoro-λ6-sulfane?
(4-chlorophenyl)-[(E)-2-chloro-2-phenylethenyl]-tetrafluoro-λ6-sulfane has a molecular weight of 357.20 g/mol, XLogP of 7.35, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[(E)-2-chloro-2-phenylethenyl]-tetrafluoro-λ6-sulfane is sourced from PubChem (CID 90101402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).