7,9-difluoro-10-methyl-2,3,4,4a,5,10a-hexahydro-1H-phenazine

C13H16F2N2 — CID 84629106

IUPAC7,9-difluoro-10-methyl-2,3,4,4a,5,10a-hexahydro-1H-phenazine
SMILESCN1c2c(F)cc(F)cc2NC2CCCCC21
InChIInChI=1S/C13H16F2N2/c1-17-12-5-3-2-4-10(12)16-11-7-8(14)6-9(15)13(11)17/h6-7,10,12,16H,2-5H2,1H3
InChIKeyNCIZJVKBGAHARM-UHFFFAOYSA-N
MW238.28 g/mol
LogP3.14
Rot. Bonds

About 7,9-difluoro-10-methyl-2,3,4,4a,5,10a-hexahydro-1H-phenazine

7,9-difluoro-10-methyl-2,3,4,4a,5,10a-hexahydro-1H-phenazine (PubChem CID 84629106) has the molecular formula C13H16F2N2 and a molecular weight of 238.28 g/mol. Its IUPAC name is 7,9-difluoro-10-methyl-2,3,4,4a,5,10a-hexahydro-1H-phenazine.

Molecular Properties

Compound Name7,9-difluoro-10-methyl-2,3,4,4a,5,10a-hexahydro-1H-phenazine
PubChem CID84629106
Molecular FormulaC13H16F2N2
Molecular Weight238.28 g/mol
Exact Mass238.13
IUPAC Name7,9-difluoro-10-methyl-2,3,4,4a,5,10a-hexahydro-1H-phenazine
SMILESCN1c2c(F)cc(F)cc2NC2CCCCC21
InChIInChI=1S/C13H16F2N2/c1-17-12-5-3-2-4-10(12)16-11-7-8(14)6-9(15)13(11)17/h6-7,10,12,16H,2-5H2,1H3
InChIKeyNCIZJVKBGAHARM-UHFFFAOYSA-N
XLogP3.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7,9-difluoro-10-methyl-2,3,4,4a,5,10a-hexahydro-1H-phenazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7,9-difluoro-10-methyl-2,3,4,4a,5,10a-hexahydro-1H-phenazine?
The IUPAC name of 7,9-difluoro-10-methyl-2,3,4,4a,5,10a-hexahydro-1H-phenazine (CID 84629106) is 7,9-difluoro-10-methyl-2,3,4,4a,5,10a-hexahydro-1H-phenazine.
What is the SMILES notation for 7,9-difluoro-10-methyl-2,3,4,4a,5,10a-hexahydro-1H-phenazine?
The canonical SMILES for 7,9-difluoro-10-methyl-2,3,4,4a,5,10a-hexahydro-1H-phenazine is CN1c2c(F)cc(F)cc2NC2CCCCC21.
What is the InChIKey of 7,9-difluoro-10-methyl-2,3,4,4a,5,10a-hexahydro-1H-phenazine?
The InChIKey is NCIZJVKBGAHARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2/c1-17-12-5-3-2-4-10(12)16-11-7-8(14)6-9(15)13(11)17/h6-7,10,12,16H,2-5H2,1H3.
What are the key properties of 7,9-difluoro-10-methyl-2,3,4,4a,5,10a-hexahydro-1H-phenazine?
7,9-difluoro-10-methyl-2,3,4,4a,5,10a-hexahydro-1H-phenazine has a molecular weight of 238.28 g/mol, XLogP of 3.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-difluoro-10-methyl-2,3,4,4a,5,10a-hexahydro-1H-phenazine is sourced from PubChem (CID 84629106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).