1-fluoro-10H-phenothiazine

C12H8FNS — CID 23617568

IUPAC1-fluoro-10H-phenothiazine
SMILESFc1cccc2c1Nc1ccccc1S2
InChIInChI=1S/C12H8FNS/c13-8-4-3-7-11-12(8)14-9-5-1-2-6-10(9)15-11/h1-7,14H
InChIKeyHZPPZIINUHIWKA-UHFFFAOYSA-N
MW217.27 g/mol
LogP4.03
Rot. Bonds

About 1-fluoro-10H-phenothiazine

1-fluoro-10H-phenothiazine (PubChem CID 23617568) has the molecular formula C12H8FNS and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-fluoro-10H-phenothiazine.

Molecular Properties

Compound Name1-fluoro-10H-phenothiazine
PubChem CID23617568
Molecular FormulaC12H8FNS
Molecular Weight217.27 g/mol
Exact Mass217.04
IUPAC Name1-fluoro-10H-phenothiazine
SMILESFc1cccc2c1Nc1ccccc1S2
InChIInChI=1S/C12H8FNS/c13-8-4-3-7-11-12(8)14-9-5-1-2-6-10(9)15-11/h1-7,14H
InChIKeyHZPPZIINUHIWKA-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-10H-phenothiazine?
The IUPAC name of 1-fluoro-10H-phenothiazine (CID 23617568) is 1-fluoro-10H-phenothiazine.
What is the SMILES notation for 1-fluoro-10H-phenothiazine?
The canonical SMILES for 1-fluoro-10H-phenothiazine is Fc1cccc2c1Nc1ccccc1S2.
What is the InChIKey of 1-fluoro-10H-phenothiazine?
The InChIKey is HZPPZIINUHIWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNS/c13-8-4-3-7-11-12(8)14-9-5-1-2-6-10(9)15-11/h1-7,14H.
What are the key properties of 1-fluoro-10H-phenothiazine?
1-fluoro-10H-phenothiazine has a molecular weight of 217.27 g/mol, XLogP of 4.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-10H-phenothiazine is sourced from PubChem (CID 23617568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).