5-fluoro-3-methoxybenzene-1,2-diamine

C7H9FN2O — CID 45122088

IUPAC5-fluoro-3-methoxybenzene-1,2-diamine
SMILESCOc1cc(F)cc(N)c1N
InChIInChI=1S/C7H9FN2O/c1-11-6-3-4(8)2-5(9)7(6)10/h2-3H,9-10H2,1H3
InChIKeySKAOOTBGWUCPHU-UHFFFAOYSA-N
MW156.16 g/mol
LogP1.00
Rot. Bonds1

About 5-fluoro-3-methoxybenzene-1,2-diamine

5-fluoro-3-methoxybenzene-1,2-diamine (PubChem CID 45122088) has the molecular formula C7H9FN2O and a molecular weight of 156.16 g/mol. Its IUPAC name is 5-fluoro-3-methoxybenzene-1,2-diamine.

Molecular Properties

Compound Name5-fluoro-3-methoxybenzene-1,2-diamine
PubChem CID45122088
Molecular FormulaC7H9FN2O
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC Name5-fluoro-3-methoxybenzene-1,2-diamine
SMILESCOc1cc(F)cc(N)c1N
InChIInChI=1S/C7H9FN2O/c1-11-6-3-4(8)2-5(9)7(6)10/h2-3H,9-10H2,1H3
InChIKeySKAOOTBGWUCPHU-UHFFFAOYSA-N
XLogP1.00
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methoxybenzene-1,2-diamine?
The IUPAC name of 5-fluoro-3-methoxybenzene-1,2-diamine (CID 45122088) is 5-fluoro-3-methoxybenzene-1,2-diamine.
What is the SMILES notation for 5-fluoro-3-methoxybenzene-1,2-diamine?
The canonical SMILES for 5-fluoro-3-methoxybenzene-1,2-diamine is COc1cc(F)cc(N)c1N.
What is the InChIKey of 5-fluoro-3-methoxybenzene-1,2-diamine?
The InChIKey is SKAOOTBGWUCPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O/c1-11-6-3-4(8)2-5(9)7(6)10/h2-3H,9-10H2,1H3.
What are the key properties of 5-fluoro-3-methoxybenzene-1,2-diamine?
5-fluoro-3-methoxybenzene-1,2-diamine has a molecular weight of 156.16 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methoxybenzene-1,2-diamine is sourced from PubChem (CID 45122088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).