3-(4-fluorophenoxy)-5-methyl-1,2-diaza-4-azanidacyclopenta-2,5-diene

C9H7FN3O- — CID 140701123

IUPAC3-(4-fluorophenoxy)-5-methyl-1,2-diaza-4-azanidacyclopenta-2,5-diene
SMILESCc1nnc(Oc2ccc(F)cc2)[n-]1
InChIInChI=1S/C9H7FN3O/c1-6-11-9(13-12-6)14-8-4-2-7(10)3-5-8/h2-5H,1H3/q-1
InChIKeyWSJAQXHXKPREPT-UHFFFAOYSA-N
MW192.17 g/mol
LogP1.67
Rot. Bonds2

About 3-(4-fluorophenoxy)-5-methyl-1,2-diaza-4-azanidacyclopenta-2,5-diene

3-(4-fluorophenoxy)-5-methyl-1,2-diaza-4-azanidacyclopenta-2,5-diene (PubChem CID 140701123) has the molecular formula C9H7FN3O- and a molecular weight of 192.17 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-5-methyl-1,2-diaza-4-azanidacyclopenta-2,5-diene.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-5-methyl-1,2-diaza-4-azanidacyclopenta-2,5-diene
PubChem CID140701123
Molecular FormulaC9H7FN3O-
Molecular Weight192.17 g/mol
Exact Mass192.06
IUPAC Name3-(4-fluorophenoxy)-5-methyl-1,2-diaza-4-azanidacyclopenta-2,5-diene
SMILESCc1nnc(Oc2ccc(F)cc2)[n-]1
InChIInChI=1S/C9H7FN3O/c1-6-11-9(13-12-6)14-8-4-2-7(10)3-5-8/h2-5H,1H3/q-1
InChIKeyWSJAQXHXKPREPT-UHFFFAOYSA-N
XLogP1.67
TPSA49.11 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-5-methyl-1,2-diaza-4-azanidacyclopenta-2,5-diene?
The IUPAC name of 3-(4-fluorophenoxy)-5-methyl-1,2-diaza-4-azanidacyclopenta-2,5-diene (CID 140701123) is 3-(4-fluorophenoxy)-5-methyl-1,2-diaza-4-azanidacyclopenta-2,5-diene.
What is the SMILES notation for 3-(4-fluorophenoxy)-5-methyl-1,2-diaza-4-azanidacyclopenta-2,5-diene?
The canonical SMILES for 3-(4-fluorophenoxy)-5-methyl-1,2-diaza-4-azanidacyclopenta-2,5-diene is Cc1nnc(Oc2ccc(F)cc2)[n-]1.
What is the InChIKey of 3-(4-fluorophenoxy)-5-methyl-1,2-diaza-4-azanidacyclopenta-2,5-diene?
The InChIKey is WSJAQXHXKPREPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN3O/c1-6-11-9(13-12-6)14-8-4-2-7(10)3-5-8/h2-5H,1H3/q-1.
What are the key properties of 3-(4-fluorophenoxy)-5-methyl-1,2-diaza-4-azanidacyclopenta-2,5-diene?
3-(4-fluorophenoxy)-5-methyl-1,2-diaza-4-azanidacyclopenta-2,5-diene has a molecular weight of 192.17 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-5-methyl-1,2-diaza-4-azanidacyclopenta-2,5-diene is sourced from PubChem (CID 140701123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).