3,7-dimethyl-10-(2,2,2-trifluoroethyl)phenothiazine

C16H14F3NS — CID 118593710

IUPAC3,7-dimethyl-10-(2,2,2-trifluoroethyl)phenothiazine
SMILESCc1ccc2c(c1)Sc1cc(C)ccc1N2CC(F)(F)F
InChIInChI=1S/C16H14F3NS/c1-10-3-5-12-14(7-10)21-15-8-11(2)4-6-13(15)20(12)9-16(17,18)19/h3-8H,9H2,1-2H3
InChIKeyQXRWFUFPGNPPBU-UHFFFAOYSA-N
MW309.36 g/mol
LogP5.47
Rot. Bonds1

About 3,7-dimethyl-10-(2,2,2-trifluoroethyl)phenothiazine

3,7-dimethyl-10-(2,2,2-trifluoroethyl)phenothiazine (PubChem CID 118593710) has the molecular formula C16H14F3NS and a molecular weight of 309.36 g/mol. Its IUPAC name is 3,7-dimethyl-10-(2,2,2-trifluoroethyl)phenothiazine.

Molecular Properties

Compound Name3,7-dimethyl-10-(2,2,2-trifluoroethyl)phenothiazine
PubChem CID118593710
Molecular FormulaC16H14F3NS
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC Name3,7-dimethyl-10-(2,2,2-trifluoroethyl)phenothiazine
SMILESCc1ccc2c(c1)Sc1cc(C)ccc1N2CC(F)(F)F
InChIInChI=1S/C16H14F3NS/c1-10-3-5-12-14(7-10)21-15-8-11(2)4-6-13(15)20(12)9-16(17,18)19/h3-8H,9H2,1-2H3
InChIKeyQXRWFUFPGNPPBU-UHFFFAOYSA-N
XLogP5.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.36
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,7-dimethyl-10-octadecylphenothiazine
CID 135023420
5-methyl-2-(2,2,2-trifluoroethyl)isoindole-1,3-dione
CID 142829685
10-(4-tert-butyl-2,6-dimethylphenyl)-3,7-dimethylphenothiazine
CID 59184123
7-ethyl-2-methyl-10-(2,2,2-trifluoroethyl)phenothiazine 5,5-dioxide
CID 121258319
N,N,7,10-tetramethylphenothiazin-3-amine
CID 162186059
3-iodo-5-methyl-1-(2,2,2-trifluoroethyl)indole
CID 154472456
10-ethyl-2,7-dimethyl-2,3-dihydrophenothiazine
CID 144583719
3,7-dimethyl-10-(2-phenylphenyl)phenothiazine
CID 59572850
methyl 3-[3,7-bis(trifluoromethyl)phenothiazin-10-yl]propanoate
CID 118595853
2,8-dimethyl-10,12-dihydrobenzo[b][1,5]benzothiatellurocine
CID 20731398
3-(3-methoxy-7-methylphenothiazin-10-yl)propyl prop-2-enoate
CID 118545445
2-bromo-5-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 82757110

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-10-(2,2,2-trifluoroethyl)phenothiazine?
The IUPAC name of 3,7-dimethyl-10-(2,2,2-trifluoroethyl)phenothiazine (CID 118593710) is 3,7-dimethyl-10-(2,2,2-trifluoroethyl)phenothiazine.
What is the SMILES notation for 3,7-dimethyl-10-(2,2,2-trifluoroethyl)phenothiazine?
The canonical SMILES for 3,7-dimethyl-10-(2,2,2-trifluoroethyl)phenothiazine is Cc1ccc2c(c1)Sc1cc(C)ccc1N2CC(F)(F)F.
What is the InChIKey of 3,7-dimethyl-10-(2,2,2-trifluoroethyl)phenothiazine?
The InChIKey is QXRWFUFPGNPPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NS/c1-10-3-5-12-14(7-10)21-15-8-11(2)4-6-13(15)20(12)9-16(17,18)19/h3-8H,9H2,1-2H3.
What are the key properties of 3,7-dimethyl-10-(2,2,2-trifluoroethyl)phenothiazine?
3,7-dimethyl-10-(2,2,2-trifluoroethyl)phenothiazine has a molecular weight of 309.36 g/mol, XLogP of 5.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-10-(2,2,2-trifluoroethyl)phenothiazine is sourced from PubChem (CID 118593710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).