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

C14H10ClF4NO2S — CID 90101542

IUPAC[(E)-2-chloro-2-phenylethenyl]-tetrafluoro-(4-nitrophenyl)-λ6-sulfane
SMILESO=[N+]([O-])c1ccc(S(F)(F)(F)(F)/C=C(/Cl)c2ccccc2)cc1
InChIInChI=1S/C14H10ClF4NO2S/c15-14(11-4-2-1-3-5-11)10-23(16,17,18,19)13-8-6-12(7-9-13)20(21)22/h1-10H/b14-10+
InChIKeyKSQLHZNZIFHRCN-GXDHUFHOSA-N
MW367.75 g/mol
LogP6.61
Rot. Bonds4

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

[(E)-2-chloro-2-phenylethenyl]-tetrafluoro-(4-nitrophenyl)-λ6-sulfane (PubChem CID 90101542) has the molecular formula C14H10ClF4NO2S and a molecular weight of 367.75 g/mol. Its IUPAC name is [(E)-2-chloro-2-phenylethenyl]-tetrafluoro-(4-nitrophenyl)-λ6-sulfane.

Molecular Properties

Compound Name[(E)-2-chloro-2-phenylethenyl]-tetrafluoro-(4-nitrophenyl)-λ6-sulfane
PubChem CID90101542
Molecular FormulaC14H10ClF4NO2S
Molecular Weight367.75 g/mol
Exact Mass367.01
IUPAC Name[(E)-2-chloro-2-phenylethenyl]-tetrafluoro-(4-nitrophenyl)-λ6-sulfane
SMILESO=[N+]([O-])c1ccc(S(F)(F)(F)(F)/C=C(/Cl)c2ccccc2)cc1
InChIInChI=1S/C14H10ClF4NO2S/c15-14(11-4-2-1-3-5-11)10-23(16,17,18,19)13-8-6-12(7-9-13)20(21)22/h1-10H/b14-10+
InChIKeyKSQLHZNZIFHRCN-GXDHUFHOSA-N
XLogP6.61
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.75
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-chloro-2-phenylethenyl]-tetrafluoro-(4-nitrophenyl)-λ6-sulfane?
The IUPAC name of [(E)-2-chloro-2-phenylethenyl]-tetrafluoro-(4-nitrophenyl)-λ6-sulfane (CID 90101542) is [(E)-2-chloro-2-phenylethenyl]-tetrafluoro-(4-nitrophenyl)-λ6-sulfane.
What is the SMILES notation for [(E)-2-chloro-2-phenylethenyl]-tetrafluoro-(4-nitrophenyl)-λ6-sulfane?
The canonical SMILES for [(E)-2-chloro-2-phenylethenyl]-tetrafluoro-(4-nitrophenyl)-λ6-sulfane is O=[N+]([O-])c1ccc(S(F)(F)(F)(F)/C=C(/Cl)c2ccccc2)cc1.
What is the InChIKey of [(E)-2-chloro-2-phenylethenyl]-tetrafluoro-(4-nitrophenyl)-λ6-sulfane?
The InChIKey is KSQLHZNZIFHRCN-GXDHUFHOSA-N. The full InChI is InChI=1S/C14H10ClF4NO2S/c15-14(11-4-2-1-3-5-11)10-23(16,17,18,19)13-8-6-12(7-9-13)20(21)22/h1-10H/b14-10+.
What are the key properties of [(E)-2-chloro-2-phenylethenyl]-tetrafluoro-(4-nitrophenyl)-λ6-sulfane?
[(E)-2-chloro-2-phenylethenyl]-tetrafluoro-(4-nitrophenyl)-λ6-sulfane has a molecular weight of 367.75 g/mol, XLogP of 6.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-chloro-2-phenylethenyl]-tetrafluoro-(4-nitrophenyl)-λ6-sulfane is sourced from PubChem (CID 90101542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).