[7-(trifluoromethyl)-10H-phenothiazin-3-yl]methanol

C14H10F3NOS — CID 123335517

IUPAC[7-(trifluoromethyl)-10H-phenothiazin-3-yl]methanol
SMILESOCc1ccc2c(c1)Sc1cc(C(F)(F)F)ccc1N2
InChIInChI=1S/C14H10F3NOS/c15-14(16,17)9-2-4-11-13(6-9)20-12-5-8(7-19)1-3-10(12)18-11/h1-6,18-19H,7H2
InChIKeyJDCVJCWSMIQARE-UHFFFAOYSA-N
MW297.30 g/mol
LogP4.41
Rot. Bonds1

About [7-(trifluoromethyl)-10H-phenothiazin-3-yl]methanol

[7-(trifluoromethyl)-10H-phenothiazin-3-yl]methanol (PubChem CID 123335517) has the molecular formula C14H10F3NOS and a molecular weight of 297.30 g/mol. Its IUPAC name is [7-(trifluoromethyl)-10H-phenothiazin-3-yl]methanol.

Molecular Properties

Compound Name[7-(trifluoromethyl)-10H-phenothiazin-3-yl]methanol
PubChem CID123335517
Molecular FormulaC14H10F3NOS
Molecular Weight297.30 g/mol
Exact Mass297.04
IUPAC Name[7-(trifluoromethyl)-10H-phenothiazin-3-yl]methanol
SMILESOCc1ccc2c(c1)Sc1cc(C(F)(F)F)ccc1N2
InChIInChI=1S/C14H10F3NOS/c15-14(16,17)9-2-4-11-13(6-9)20-12-5-8(7-19)1-3-10(12)18-11/h1-6,18-19H,7H2
InChIKeyJDCVJCWSMIQARE-UHFFFAOYSA-N
XLogP4.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [7-(trifluoromethyl)-10H-phenothiazin-3-yl]methanol?
The IUPAC name of [7-(trifluoromethyl)-10H-phenothiazin-3-yl]methanol (CID 123335517) is [7-(trifluoromethyl)-10H-phenothiazin-3-yl]methanol.
What is the SMILES notation for [7-(trifluoromethyl)-10H-phenothiazin-3-yl]methanol?
The canonical SMILES for [7-(trifluoromethyl)-10H-phenothiazin-3-yl]methanol is OCc1ccc2c(c1)Sc1cc(C(F)(F)F)ccc1N2.
What is the InChIKey of [7-(trifluoromethyl)-10H-phenothiazin-3-yl]methanol?
The InChIKey is JDCVJCWSMIQARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NOS/c15-14(16,17)9-2-4-11-13(6-9)20-12-5-8(7-19)1-3-10(12)18-11/h1-6,18-19H,7H2.
What are the key properties of [7-(trifluoromethyl)-10H-phenothiazin-3-yl]methanol?
[7-(trifluoromethyl)-10H-phenothiazin-3-yl]methanol has a molecular weight of 297.30 g/mol, XLogP of 4.41, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(trifluoromethyl)-10H-phenothiazin-3-yl]methanol is sourced from PubChem (CID 123335517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).