3,3-difluorophenothiazine

C12H7F2NS — CID 174698656

IUPAC3,3-difluorophenothiazine
SMILESFC1(F)C=CC2=Nc3ccccc3SC2=C1
InChIInChI=1S/C12H7F2NS/c13-12(14)6-5-9-11(7-12)16-10-4-2-1-3-8(10)15-9/h1-7H
InChIKeyVZCFWQXXAJRDGB-UHFFFAOYSA-N
MW235.26 g/mol
LogP3.95
Rot. Bonds

About 3,3-difluorophenothiazine

3,3-difluorophenothiazine (PubChem CID 174698656) has the molecular formula C12H7F2NS and a molecular weight of 235.26 g/mol. Its IUPAC name is 3,3-difluorophenothiazine.

Molecular Properties

Compound Name3,3-difluorophenothiazine
PubChem CID174698656
Molecular FormulaC12H7F2NS
Molecular Weight235.26 g/mol
Exact Mass235.03
IUPAC Name3,3-difluorophenothiazine
SMILESFC1(F)C=CC2=Nc3ccccc3SC2=C1
InChIInChI=1S/C12H7F2NS/c13-12(14)6-5-9-11(7-12)16-10-4-2-1-3-8(10)15-9/h1-7H
InChIKeyVZCFWQXXAJRDGB-UHFFFAOYSA-N
XLogP3.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluorophenothiazine?
The IUPAC name of 3,3-difluorophenothiazine (CID 174698656) is 3,3-difluorophenothiazine.
What is the SMILES notation for 3,3-difluorophenothiazine?
The canonical SMILES for 3,3-difluorophenothiazine is FC1(F)C=CC2=Nc3ccccc3SC2=C1.
What is the InChIKey of 3,3-difluorophenothiazine?
The InChIKey is VZCFWQXXAJRDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2NS/c13-12(14)6-5-9-11(7-12)16-10-4-2-1-3-8(10)15-9/h1-7H.
What are the key properties of 3,3-difluorophenothiazine?
3,3-difluorophenothiazine has a molecular weight of 235.26 g/mol, XLogP of 3.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluorophenothiazine is sourced from PubChem (CID 174698656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).