3-amino-1-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-one;hydrochloride

C16H14ClF3N2OS — CID 146050838

IUPAC3-amino-1-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-one;hydrochloride
SMILESCl.NCCC(=O)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C16H13F3N2OS.ClH/c17-16(18,19)10-5-6-14-12(9-10)21(15(22)7-8-20)11-3-1-2-4-13(11)23-14;/h1-6,9H,7-8,20H2;1H
InChIKeyORFXBMHQSIJXTC-UHFFFAOYSA-N
MW374.82 g/mol
LogP4.61
Rot. Bonds2

About 3-amino-1-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-one;hydrochloride

3-amino-1-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-one;hydrochloride (PubChem CID 146050838) has the molecular formula C16H14ClF3N2OS and a molecular weight of 374.82 g/mol. Its IUPAC name is 3-amino-1-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name3-amino-1-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-one;hydrochloride
PubChem CID146050838
Molecular FormulaC16H14ClF3N2OS
Molecular Weight374.82 g/mol
Exact Mass374.05
IUPAC Name3-amino-1-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-one;hydrochloride
SMILESCl.NCCC(=O)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C16H13F3N2OS.ClH/c17-16(18,19)10-5-6-14-12(9-10)21(15(22)7-8-20)11-3-1-2-4-13(11)23-14;/h1-6,9H,7-8,20H2;1H
InChIKeyORFXBMHQSIJXTC-UHFFFAOYSA-N
XLogP4.61
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-one;hydrochloride?
The IUPAC name of 3-amino-1-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-one;hydrochloride (CID 146050838) is 3-amino-1-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-one;hydrochloride.
What is the SMILES notation for 3-amino-1-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-one;hydrochloride?
The canonical SMILES for 3-amino-1-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-one;hydrochloride is Cl.NCCC(=O)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21.
What is the InChIKey of 3-amino-1-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-one;hydrochloride?
The InChIKey is ORFXBMHQSIJXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2OS.ClH/c17-16(18,19)10-5-6-14-12(9-10)21(15(22)7-8-20)11-3-1-2-4-13(11)23-14;/h1-6,9H,7-8,20H2;1H.
What are the key properties of 3-amino-1-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-one;hydrochloride?
3-amino-1-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-one;hydrochloride has a molecular weight of 374.82 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 146050838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).