sodium 5-[difluoro(naphthalen-2-yl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene

C12H7F2N4Na — CID 23702953

IUPACsodium 5-[difluoro(naphthalen-2-yl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene
SMILESFC(F)(c1ccc2ccccc2c1)c1nnn[n-]1.[Na+]
InChIInChI=1S/C12H7F2N4.Na/c13-12(14,11-15-17-18-16-11)10-6-5-8-3-1-2-4-9(8)7-10;/h1-7H;/q-1;+1
InChIKeyHDWVHCMKCZZBTK-UHFFFAOYSA-N
MW268.20 g/mol
LogP-0.87
Rot. Bonds2

About sodium 5-[difluoro(naphthalen-2-yl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene

sodium 5-[difluoro(naphthalen-2-yl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene (PubChem CID 23702953) has the molecular formula C12H7F2N4Na and a molecular weight of 268.20 g/mol. Its IUPAC name is sodium 5-[difluoro(naphthalen-2-yl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene.

Molecular Properties

Compound Namesodium 5-[difluoro(naphthalen-2-yl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene
PubChem CID23702953
Molecular FormulaC12H7F2N4Na
Molecular Weight268.20 g/mol
Exact Mass268.05
IUPAC Namesodium 5-[difluoro(naphthalen-2-yl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene
SMILESFC(F)(c1ccc2ccccc2c1)c1nnn[n-]1.[Na+]
InChIInChI=1S/C12H7F2N4.Na/c13-12(14,11-15-17-18-16-11)10-6-5-8-3-1-2-4-9(8)7-10;/h1-7H;/q-1;+1
InChIKeyHDWVHCMKCZZBTK-UHFFFAOYSA-N
XLogP-0.87
TPSA52.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 5-0.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium 5-[difluoro(naphthalen-2-yl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene?
The IUPAC name of sodium 5-[difluoro(naphthalen-2-yl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene (CID 23702953) is sodium 5-[difluoro(naphthalen-2-yl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene.
What is the SMILES notation for sodium 5-[difluoro(naphthalen-2-yl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene?
The canonical SMILES for sodium 5-[difluoro(naphthalen-2-yl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene is FC(F)(c1ccc2ccccc2c1)c1nnn[n-]1.[Na+].
What is the InChIKey of sodium 5-[difluoro(naphthalen-2-yl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene?
The InChIKey is HDWVHCMKCZZBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2N4.Na/c13-12(14,11-15-17-18-16-11)10-6-5-8-3-1-2-4-9(8)7-10;/h1-7H;/q-1;+1.
What are the key properties of sodium 5-[difluoro(naphthalen-2-yl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene?
sodium 5-[difluoro(naphthalen-2-yl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene has a molecular weight of 268.20 g/mol, XLogP of -0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5-[difluoro(naphthalen-2-yl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene is sourced from PubChem (CID 23702953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).