3-ethoxy-7-(trifluoromethyl)-10H-phenothiazine

C15H12F3NOS — CID 71404366

IUPAC3-ethoxy-7-(trifluoromethyl)-10H-phenothiazine
SMILESCCOc1ccc2c(c1)Sc1cc(C(F)(F)F)ccc1N2
InChIInChI=1S/C15H12F3NOS/c1-2-20-10-4-6-12-14(8-10)21-13-7-9(15(16,17)18)3-5-11(13)19-12/h3-8,19H,2H2,1H3
InChIKeyYVARGEXZIOGYGG-UHFFFAOYSA-N
MW311.33 g/mol
LogP5.31
Rot. Bonds2

About 3-ethoxy-7-(trifluoromethyl)-10H-phenothiazine

3-ethoxy-7-(trifluoromethyl)-10H-phenothiazine (PubChem CID 71404366) has the molecular formula C15H12F3NOS and a molecular weight of 311.33 g/mol. Its IUPAC name is 3-ethoxy-7-(trifluoromethyl)-10H-phenothiazine.

Molecular Properties

Compound Name3-ethoxy-7-(trifluoromethyl)-10H-phenothiazine
PubChem CID71404366
Molecular FormulaC15H12F3NOS
Molecular Weight311.33 g/mol
Exact Mass311.06
IUPAC Name3-ethoxy-7-(trifluoromethyl)-10H-phenothiazine
SMILESCCOc1ccc2c(c1)Sc1cc(C(F)(F)F)ccc1N2
InChIInChI=1S/C15H12F3NOS/c1-2-20-10-4-6-12-14(8-10)21-13-7-9(15(16,17)18)3-5-11(13)19-12/h3-8,19H,2H2,1H3
InChIKeyYVARGEXZIOGYGG-UHFFFAOYSA-N
XLogP5.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.33
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methoxy-10H-phenothiazine
CID 74491
3,7-Dimethoxy-10H-phenothiazine
CID 621196
7-phenylmethoxy-4H-1,4-benzothiazin-3-one
CID 45257678
7-[(4-methylphenyl)methoxy]-4H-1,4-benzothiazin-3-one
CID 45257798
N,N-dimethyl-3-(10H-phenothiazin-3-yloxy)propan-1-amine;hydrochloride
CID 45262886
7-methoxy-10H-phenothiazine-3-carbonitrile
CID 70690739
7-(2-phenylethoxy)-4H-1,4-benzothiazin-3-one
CID 168270903
7-(cyclohexylmethoxy)-4H-1,4-benzothiazin-3-one
CID 168276947
7-(3-phenylpropoxy)-4H-1,4-benzothiazin-3-one
CID 168285837
7-Methoxy-2-(trifluoromethyl)-10H-phenothiazine
CID 71402898
7-Methoxy-1,2,3,10-tetrahydrocyclopenta[b]phenothiazine
CID 15309887
3-Acetoxyphenothiazine
CID 4343276

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-7-(trifluoromethyl)-10H-phenothiazine?
The IUPAC name of 3-ethoxy-7-(trifluoromethyl)-10H-phenothiazine (CID 71404366) is 3-ethoxy-7-(trifluoromethyl)-10H-phenothiazine.
What is the SMILES notation for 3-ethoxy-7-(trifluoromethyl)-10H-phenothiazine?
The canonical SMILES for 3-ethoxy-7-(trifluoromethyl)-10H-phenothiazine is CCOc1ccc2c(c1)Sc1cc(C(F)(F)F)ccc1N2.
What is the InChIKey of 3-ethoxy-7-(trifluoromethyl)-10H-phenothiazine?
The InChIKey is YVARGEXZIOGYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NOS/c1-2-20-10-4-6-12-14(8-10)21-13-7-9(15(16,17)18)3-5-11(13)19-12/h3-8,19H,2H2,1H3.
What are the key properties of 3-ethoxy-7-(trifluoromethyl)-10H-phenothiazine?
3-ethoxy-7-(trifluoromethyl)-10H-phenothiazine has a molecular weight of 311.33 g/mol, XLogP of 5.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-7-(trifluoromethyl)-10H-phenothiazine is sourced from PubChem (CID 71404366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).