diphenyl-sulfanylidene-[(Z)-2-[4-(trifluoromethyl)phenyl]ethenyl]-λ5-phosphane

C21H16F3PS — CID 134850634

IUPACdiphenyl-sulfanylidene-[(Z)-2-[4-(trifluoromethyl)phenyl]ethenyl]-λ5-phosphane
SMILESFC(F)(F)c1ccc(/C=C\P(=S)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H16F3PS/c22-21(23,24)18-13-11-17(12-14-18)15-16-25(26,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-16H/b16-15-
InChIKeyIBZGVNIYAJWFPA-NXVVXOECSA-N
MW388.39 g/mol
LogP5.81
Rot. Bonds4

About diphenyl-sulfanylidene-[(Z)-2-[4-(trifluoromethyl)phenyl]ethenyl]-λ5-phosphane

diphenyl-sulfanylidene-[(Z)-2-[4-(trifluoromethyl)phenyl]ethenyl]-λ5-phosphane (PubChem CID 134850634) has the molecular formula C21H16F3PS and a molecular weight of 388.39 g/mol. Its IUPAC name is diphenyl-sulfanylidene-[(Z)-2-[4-(trifluoromethyl)phenyl]ethenyl]-λ5-phosphane.

Molecular Properties

Compound Namediphenyl-sulfanylidene-[(Z)-2-[4-(trifluoromethyl)phenyl]ethenyl]-λ5-phosphane
PubChem CID134850634
Molecular FormulaC21H16F3PS
Molecular Weight388.39 g/mol
Exact Mass388.07
IUPAC Namediphenyl-sulfanylidene-[(Z)-2-[4-(trifluoromethyl)phenyl]ethenyl]-λ5-phosphane
SMILESFC(F)(F)c1ccc(/C=C\P(=S)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H16F3PS/c22-21(23,24)18-13-11-17(12-14-18)15-16-25(26,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-16H/b16-15-
InChIKeyIBZGVNIYAJWFPA-NXVVXOECSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.39
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diphenyl-sulfanylidene-[(Z)-2-[4-(trifluoromethyl)phenyl]ethenyl]-λ5-phosphane?
The IUPAC name of diphenyl-sulfanylidene-[(Z)-2-[4-(trifluoromethyl)phenyl]ethenyl]-λ5-phosphane (CID 134850634) is diphenyl-sulfanylidene-[(Z)-2-[4-(trifluoromethyl)phenyl]ethenyl]-λ5-phosphane.
What is the SMILES notation for diphenyl-sulfanylidene-[(Z)-2-[4-(trifluoromethyl)phenyl]ethenyl]-λ5-phosphane?
The canonical SMILES for diphenyl-sulfanylidene-[(Z)-2-[4-(trifluoromethyl)phenyl]ethenyl]-λ5-phosphane is FC(F)(F)c1ccc(/C=C\P(=S)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of diphenyl-sulfanylidene-[(Z)-2-[4-(trifluoromethyl)phenyl]ethenyl]-λ5-phosphane?
The InChIKey is IBZGVNIYAJWFPA-NXVVXOECSA-N. The full InChI is InChI=1S/C21H16F3PS/c22-21(23,24)18-13-11-17(12-14-18)15-16-25(26,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-16H/b16-15-.
What are the key properties of diphenyl-sulfanylidene-[(Z)-2-[4-(trifluoromethyl)phenyl]ethenyl]-λ5-phosphane?
diphenyl-sulfanylidene-[(Z)-2-[4-(trifluoromethyl)phenyl]ethenyl]-λ5-phosphane has a molecular weight of 388.39 g/mol, XLogP of 5.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-sulfanylidene-[(Z)-2-[4-(trifluoromethyl)phenyl]ethenyl]-λ5-phosphane is sourced from PubChem (CID 134850634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).