1-fluoro-3-methyl-10H-phenothiazine

C13H10FNS — CID 150282102

IUPAC1-fluoro-3-methyl-10H-phenothiazine
SMILESCc1cc(F)c2c(c1)Sc1ccccc1N2
InChIInChI=1S/C13H10FNS/c1-8-6-9(14)13-12(7-8)16-11-5-3-2-4-10(11)15-13/h2-7,15H,1H3
InChIKeyGFUPBNSREQBABS-UHFFFAOYSA-N
MW231.29 g/mol
LogP4.34
Rot. Bonds

About 1-fluoro-3-methyl-10H-phenothiazine

1-fluoro-3-methyl-10H-phenothiazine (PubChem CID 150282102) has the molecular formula C13H10FNS and a molecular weight of 231.29 g/mol. Its IUPAC name is 1-fluoro-3-methyl-10H-phenothiazine.

Molecular Properties

Compound Name1-fluoro-3-methyl-10H-phenothiazine
PubChem CID150282102
Molecular FormulaC13H10FNS
Molecular Weight231.29 g/mol
Exact Mass231.05
IUPAC Name1-fluoro-3-methyl-10H-phenothiazine
SMILESCc1cc(F)c2c(c1)Sc1ccccc1N2
InChIInChI=1S/C13H10FNS/c1-8-6-9(14)13-12(7-8)16-11-5-3-2-4-10(11)15-13/h2-7,15H,1H3
InChIKeyGFUPBNSREQBABS-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-methyl-10H-phenothiazine?
The IUPAC name of 1-fluoro-3-methyl-10H-phenothiazine (CID 150282102) is 1-fluoro-3-methyl-10H-phenothiazine.
What is the SMILES notation for 1-fluoro-3-methyl-10H-phenothiazine?
The canonical SMILES for 1-fluoro-3-methyl-10H-phenothiazine is Cc1cc(F)c2c(c1)Sc1ccccc1N2.
What is the InChIKey of 1-fluoro-3-methyl-10H-phenothiazine?
The InChIKey is GFUPBNSREQBABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNS/c1-8-6-9(14)13-12(7-8)16-11-5-3-2-4-10(11)15-13/h2-7,15H,1H3.
What are the key properties of 1-fluoro-3-methyl-10H-phenothiazine?
1-fluoro-3-methyl-10H-phenothiazine has a molecular weight of 231.29 g/mol, XLogP of 4.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-methyl-10H-phenothiazine is sourced from PubChem (CID 150282102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).