1-[2-(trifluoromethyl)phenothiazin-10-yl]butan-2-ol

C17H16F3NOS — CID 139567013

IUPAC1-[2-(trifluoromethyl)phenothiazin-10-yl]butan-2-ol
SMILESCCC(O)CN1c2ccccc2Sc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C17H16F3NOS/c1-2-12(22)10-21-13-5-3-4-6-15(13)23-16-8-7-11(9-14(16)21)17(18,19)20/h3-9,12,22H,2,10H2,1H3
InChIKeyRAZXWBAMRIDGJR-UHFFFAOYSA-N
MW339.38 g/mol
LogP5.08
Rot. Bonds3

About 1-[2-(trifluoromethyl)phenothiazin-10-yl]butan-2-ol

1-[2-(trifluoromethyl)phenothiazin-10-yl]butan-2-ol (PubChem CID 139567013) has the molecular formula C17H16F3NOS and a molecular weight of 339.38 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)phenothiazin-10-yl]butan-2-ol.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)phenothiazin-10-yl]butan-2-ol
PubChem CID139567013
Molecular FormulaC17H16F3NOS
Molecular Weight339.38 g/mol
Exact Mass339.09
IUPAC Name1-[2-(trifluoromethyl)phenothiazin-10-yl]butan-2-ol
SMILESCCC(O)CN1c2ccccc2Sc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C17H16F3NOS/c1-2-12(22)10-21-13-5-3-4-6-15(13)23-16-8-7-11(9-14(16)21)17(18,19)20/h3-9,12,22H,2,10H2,1H3
InChIKeyRAZXWBAMRIDGJR-UHFFFAOYSA-N
XLogP5.08
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.38
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[2-hydroxy-3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazine-1-carboxylate;ethane;ethene
CID 153351332
10-[2-hydroxy-3-[4-[(sulfinoamino)methyl]piperidin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine
CID 170107034
10-[2-(4-methylpiperazin-1-yl)ethyl]-2-(trifluoromethyl)phenothiazine
CID 6431810
10-[3-(4-propylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine
CID 58645990
10-[3-(4-cyclopropylpiperazin-1-yl)-2-methylpropyl]-2-(trifluoromethyl)phenothiazine
CID 154302343
1-[2-(trifluoromethyl)phenothiazin-10-yl]butan-1-one
CID 154359839
N,N-di(propan-2-yl)-4-[2-(trifluoromethyl)phenothiazin-10-yl]but-2-yn-1-amine
CID 21390491
1-methylpiperazine;10-propyl-2-(trifluoromethyl)phenothiazine
CID 143153499
10-[4-(4-methylpiperazin-1-yl)butyl]-2-(trifluoromethyl)phenothiazine
CID 139567030
2-[[3-[2-(1,1-difluoroethyl)phenothiazin-10-yl]-2-hydroxypropyl]-(2-hydroxyethyl)amino]ethyl hypoiodite
CID 170106732
10-(3-pyrrolidin-1-ylpropyl)-2-(trifluoromethyl)phenothiazine;hydrochloride
CID 21333443
10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine;hydrochloride
CID 2913535

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)phenothiazin-10-yl]butan-2-ol?
The IUPAC name of 1-[2-(trifluoromethyl)phenothiazin-10-yl]butan-2-ol (CID 139567013) is 1-[2-(trifluoromethyl)phenothiazin-10-yl]butan-2-ol.
What is the SMILES notation for 1-[2-(trifluoromethyl)phenothiazin-10-yl]butan-2-ol?
The canonical SMILES for 1-[2-(trifluoromethyl)phenothiazin-10-yl]butan-2-ol is CCC(O)CN1c2ccccc2Sc2ccc(C(F)(F)F)cc21.
What is the InChIKey of 1-[2-(trifluoromethyl)phenothiazin-10-yl]butan-2-ol?
The InChIKey is RAZXWBAMRIDGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NOS/c1-2-12(22)10-21-13-5-3-4-6-15(13)23-16-8-7-11(9-14(16)21)17(18,19)20/h3-9,12,22H,2,10H2,1H3.
What are the key properties of 1-[2-(trifluoromethyl)phenothiazin-10-yl]butan-2-ol?
1-[2-(trifluoromethyl)phenothiazin-10-yl]butan-2-ol has a molecular weight of 339.38 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)phenothiazin-10-yl]butan-2-ol is sourced from PubChem (CID 139567013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).