2,3,4-trifluoro-1-methyl-10H-phenothiazine

C13H8F3NS — CID 69485794

IUPAC2,3,4-trifluoro-1-methyl-10H-phenothiazine
SMILESCc1c(F)c(F)c(F)c2c1Nc1ccccc1S2
InChIInChI=1S/C13H8F3NS/c1-6-9(14)10(15)11(16)13-12(6)17-7-4-2-3-5-8(7)18-13/h2-5,17H,1H3
InChIKeyDAGYILWONQXQMA-UHFFFAOYSA-N
MW267.27 g/mol
LogP4.62
Rot. Bonds

About 2,3,4-trifluoro-1-methyl-10H-phenothiazine

2,3,4-trifluoro-1-methyl-10H-phenothiazine (PubChem CID 69485794) has the molecular formula C13H8F3NS and a molecular weight of 267.27 g/mol. Its IUPAC name is 2,3,4-trifluoro-1-methyl-10H-phenothiazine.

Molecular Properties

Compound Name2,3,4-trifluoro-1-methyl-10H-phenothiazine
PubChem CID69485794
Molecular FormulaC13H8F3NS
Molecular Weight267.27 g/mol
Exact Mass267.03
IUPAC Name2,3,4-trifluoro-1-methyl-10H-phenothiazine
SMILESCc1c(F)c(F)c(F)c2c1Nc1ccccc1S2
InChIInChI=1S/C13H8F3NS/c1-6-9(14)10(15)11(16)13-12(6)17-7-4-2-3-5-8(7)18-13/h2-5,17H,1H3
InChIKeyDAGYILWONQXQMA-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2,3,4-trifluoro-1-methyl-10H-phenothiazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,3,4-tetramethyl-10H-phenothiazine
CID 91137984
1-fluoro-3-methyl-10H-phenothiazine
CID 150282102
ethane;10H-phenothiazine
CID 90730014
1-methyl-10H-phenothiazine-4-carbaldehyde
CID 150565297
copper;10H-phenothiazine;hydrochloride
CID 70634229
1,2-bis(2-methylphenyl)-10H-phenothiazine
CID 141026755
3-methyl-4H-1,4-benzothiazine-2-carboxylic acid
CID 4738066
2-methyl-10H-phenothiazine
CID 611628
4-bromo-10H-phenothiazine
CID 141446923
2,5-dimethyl-12H-quinolino[3,4-b][1,4]benzothiazin-6-one
CID 24975744
boric acid;10H-phenothiazine
CID 159987394
N-(10H-phenothiazin-1-yl)-10H-phenothiazin-1-amine
CID 156694386

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-1-methyl-10H-phenothiazine?
The IUPAC name of 2,3,4-trifluoro-1-methyl-10H-phenothiazine (CID 69485794) is 2,3,4-trifluoro-1-methyl-10H-phenothiazine.
What is the SMILES notation for 2,3,4-trifluoro-1-methyl-10H-phenothiazine?
The canonical SMILES for 2,3,4-trifluoro-1-methyl-10H-phenothiazine is Cc1c(F)c(F)c(F)c2c1Nc1ccccc1S2.
What is the InChIKey of 2,3,4-trifluoro-1-methyl-10H-phenothiazine?
The InChIKey is DAGYILWONQXQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NS/c1-6-9(14)10(15)11(16)13-12(6)17-7-4-2-3-5-8(7)18-13/h2-5,17H,1H3.
What are the key properties of 2,3,4-trifluoro-1-methyl-10H-phenothiazine?
2,3,4-trifluoro-1-methyl-10H-phenothiazine has a molecular weight of 267.27 g/mol, XLogP of 4.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-1-methyl-10H-phenothiazine is sourced from PubChem (CID 69485794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).