2-chloro-8-fluoro-10H-phenothiazine

C12H7ClFNS — CID 141391219

IUPAC2-chloro-8-fluoro-10H-phenothiazine
SMILESFc1ccc2c(c1)Nc1cc(Cl)ccc1S2
InChIInChI=1S/C12H7ClFNS/c13-7-1-3-11-9(5-7)15-10-6-8(14)2-4-12(10)16-11/h1-6,15H
InChIKeyDGQYSVUNIDPGRZ-UHFFFAOYSA-N
MW251.71 g/mol
LogP4.69
Rot. Bonds

About 2-chloro-8-fluoro-10H-phenothiazine

2-chloro-8-fluoro-10H-phenothiazine (PubChem CID 141391219) has the molecular formula C12H7ClFNS and a molecular weight of 251.71 g/mol. Its IUPAC name is 2-chloro-8-fluoro-10H-phenothiazine.

Molecular Properties

Compound Name2-chloro-8-fluoro-10H-phenothiazine
PubChem CID141391219
Molecular FormulaC12H7ClFNS
Molecular Weight251.71 g/mol
Exact Mass251.00
IUPAC Name2-chloro-8-fluoro-10H-phenothiazine
SMILESFc1ccc2c(c1)Nc1cc(Cl)ccc1S2
InChIInChI=1S/C12H7ClFNS/c13-7-1-3-11-9(5-7)15-10-6-8(14)2-4-12(10)16-11/h1-6,15H
InChIKeyDGQYSVUNIDPGRZ-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-fluoro-10H-phenothiazine?
The IUPAC name of 2-chloro-8-fluoro-10H-phenothiazine (CID 141391219) is 2-chloro-8-fluoro-10H-phenothiazine.
What is the SMILES notation for 2-chloro-8-fluoro-10H-phenothiazine?
The canonical SMILES for 2-chloro-8-fluoro-10H-phenothiazine is Fc1ccc2c(c1)Nc1cc(Cl)ccc1S2.
What is the InChIKey of 2-chloro-8-fluoro-10H-phenothiazine?
The InChIKey is DGQYSVUNIDPGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFNS/c13-7-1-3-11-9(5-7)15-10-6-8(14)2-4-12(10)16-11/h1-6,15H.
What are the key properties of 2-chloro-8-fluoro-10H-phenothiazine?
2-chloro-8-fluoro-10H-phenothiazine has a molecular weight of 251.71 g/mol, XLogP of 4.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-fluoro-10H-phenothiazine is sourced from PubChem (CID 141391219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).