2,2,2-trifluoro-1-[1-(trifluoromethyl)phenothiazin-10-yl]ethanone

C15H7F6NOS — CID 87738459

IUPAC2,2,2-trifluoro-1-[1-(trifluoromethyl)phenothiazin-10-yl]ethanone
SMILESO=C(N1c2ccccc2Sc2cccc(C(F)(F)F)c21)C(F)(F)F
InChIInChI=1S/C15H7F6NOS/c16-14(17,18)8-4-3-7-11-12(8)22(13(23)15(19,20)21)9-5-1-2-6-10(9)24-11/h1-7H
InChIKeyQAQTVBCAINQWQB-UHFFFAOYSA-N
MW363.28 g/mol
LogP5.40
Rot. Bonds

About 2,2,2-trifluoro-1-[1-(trifluoromethyl)phenothiazin-10-yl]ethanone

2,2,2-trifluoro-1-[1-(trifluoromethyl)phenothiazin-10-yl]ethanone (PubChem CID 87738459) has the molecular formula C15H7F6NOS and a molecular weight of 363.28 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[1-(trifluoromethyl)phenothiazin-10-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[1-(trifluoromethyl)phenothiazin-10-yl]ethanone
PubChem CID87738459
Molecular FormulaC15H7F6NOS
Molecular Weight363.28 g/mol
Exact Mass363.02
IUPAC Name2,2,2-trifluoro-1-[1-(trifluoromethyl)phenothiazin-10-yl]ethanone
SMILESO=C(N1c2ccccc2Sc2cccc(C(F)(F)F)c21)C(F)(F)F
InChIInChI=1S/C15H7F6NOS/c16-14(17,18)8-4-3-7-11-12(8)22(13(23)15(19,20)21)9-5-1-2-6-10(9)24-11/h1-7H
InChIKeyQAQTVBCAINQWQB-UHFFFAOYSA-N
XLogP5.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.28
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[1-(trifluoromethyl)phenothiazin-10-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[1-(trifluoromethyl)phenothiazin-10-yl]ethanone (CID 87738459) is 2,2,2-trifluoro-1-[1-(trifluoromethyl)phenothiazin-10-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[1-(trifluoromethyl)phenothiazin-10-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[1-(trifluoromethyl)phenothiazin-10-yl]ethanone is O=C(N1c2ccccc2Sc2cccc(C(F)(F)F)c21)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[1-(trifluoromethyl)phenothiazin-10-yl]ethanone?
The InChIKey is QAQTVBCAINQWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F6NOS/c16-14(17,18)8-4-3-7-11-12(8)22(13(23)15(19,20)21)9-5-1-2-6-10(9)24-11/h1-7H.
What are the key properties of 2,2,2-trifluoro-1-[1-(trifluoromethyl)phenothiazin-10-yl]ethanone?
2,2,2-trifluoro-1-[1-(trifluoromethyl)phenothiazin-10-yl]ethanone has a molecular weight of 363.28 g/mol, XLogP of 5.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[1-(trifluoromethyl)phenothiazin-10-yl]ethanone is sourced from PubChem (CID 87738459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).