N-[4-(trifluoromethyl)phenyl]phenothiazin-3-imine

C19H11F3N2S — CID 10150159

IUPACN-[4-(trifluoromethyl)phenyl]phenothiazin-3-imine
SMILESFC(F)(F)c1ccc(/N=c2\ccc3nc4ccccc4sc-3c2)cc1
InChIInChI=1S/C19H11F3N2S/c20-19(21,22)12-5-7-13(8-6-12)23-14-9-10-16-18(11-14)25-17-4-2-1-3-15(17)24-16/h1-11H/b23-14+
InChIKeyWJPLSLZLPGUUGJ-OEAKJJBVSA-N
MW356.37 g/mol
LogP5.65
Rot. Bonds1

About N-[4-(trifluoromethyl)phenyl]phenothiazin-3-imine

N-[4-(trifluoromethyl)phenyl]phenothiazin-3-imine (PubChem CID 10150159) has the molecular formula C19H11F3N2S and a molecular weight of 356.37 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)phenyl]phenothiazin-3-imine.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)phenyl]phenothiazin-3-imine
PubChem CID10150159
Molecular FormulaC19H11F3N2S
Molecular Weight356.37 g/mol
Exact Mass356.06
IUPAC NameN-[4-(trifluoromethyl)phenyl]phenothiazin-3-imine
SMILESFC(F)(F)c1ccc(/N=c2\ccc3nc4ccccc4sc-3c2)cc1
InChIInChI=1S/C19H11F3N2S/c20-19(21,22)12-5-7-13(8-6-12)23-14-9-10-16-18(11-14)25-17-4-2-1-3-15(17)24-16/h1-11H/b23-14+
InChIKeyWJPLSLZLPGUUGJ-OEAKJJBVSA-N
XLogP5.65
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.37
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)phenyl]phenothiazin-3-imine?
The IUPAC name of N-[4-(trifluoromethyl)phenyl]phenothiazin-3-imine (CID 10150159) is N-[4-(trifluoromethyl)phenyl]phenothiazin-3-imine.
What is the SMILES notation for N-[4-(trifluoromethyl)phenyl]phenothiazin-3-imine?
The canonical SMILES for N-[4-(trifluoromethyl)phenyl]phenothiazin-3-imine is FC(F)(F)c1ccc(/N=c2\ccc3nc4ccccc4sc-3c2)cc1.
What is the InChIKey of N-[4-(trifluoromethyl)phenyl]phenothiazin-3-imine?
The InChIKey is WJPLSLZLPGUUGJ-OEAKJJBVSA-N. The full InChI is InChI=1S/C19H11F3N2S/c20-19(21,22)12-5-7-13(8-6-12)23-14-9-10-16-18(11-14)25-17-4-2-1-3-15(17)24-16/h1-11H/b23-14+.
What are the key properties of N-[4-(trifluoromethyl)phenyl]phenothiazin-3-imine?
N-[4-(trifluoromethyl)phenyl]phenothiazin-3-imine has a molecular weight of 356.37 g/mol, XLogP of 5.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)phenyl]phenothiazin-3-imine is sourced from PubChem (CID 10150159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).