2-fluoro-5-methoxybenzene-1,4-diamine

C7H9FN2O — CID 107258755

IUPAC2-fluoro-5-methoxybenzene-1,4-diamine
SMILESCOc1cc(N)c(F)cc1N
InChIInChI=1S/C7H9FN2O/c1-11-7-3-5(9)4(8)2-6(7)10/h2-3H,9-10H2,1H3
InChIKeyFRMXTQFATAQLTH-UHFFFAOYSA-N
MW156.16 g/mol
LogP1.00
Rot. Bonds1

About 2-fluoro-5-methoxybenzene-1,4-diamine

2-fluoro-5-methoxybenzene-1,4-diamine (PubChem CID 107258755) has the molecular formula C7H9FN2O and a molecular weight of 156.16 g/mol. Its IUPAC name is 2-fluoro-5-methoxybenzene-1,4-diamine.

Molecular Properties

Compound Name2-fluoro-5-methoxybenzene-1,4-diamine
PubChem CID107258755
Molecular FormulaC7H9FN2O
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC Name2-fluoro-5-methoxybenzene-1,4-diamine
SMILESCOc1cc(N)c(F)cc1N
InChIInChI=1S/C7H9FN2O/c1-11-7-3-5(9)4(8)2-6(7)10/h2-3H,9-10H2,1H3
InChIKeyFRMXTQFATAQLTH-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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Related Compounds

2,5-difluoro-4-methoxyaniline
CID 45090681
5-fluoro-4-iodo-2-methoxyaniline
CID 131593338
2-fluoro-4-methoxy-5-methylaniline
CID 89371124
4-dimethylphosphanyl-5-fluoro-2-methoxyaniline
CID 171574099
sodium;4-bromo-5-fluoro-2-methoxyaniline;hydride
CID 175500910
(5-amino-2-fluoro-4-methoxyphenyl)methanol
CID 170335540
1-(4-amino-2-fluoro-5-methoxyphenyl)ethenol
CID 156712123
1-N-tert-butyl-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258668
4-amino-5-fluoro-2-methoxybenzamide
CID 124706175
2-fluoro-4-(2-fluoroethoxy)-5-methoxyaniline
CID 171649993
4-(3,5-difluorophenoxy)-5-fluoro-2-methoxyaniline
CID 107259895
1-(4-amino-2-fluoro-5-methoxyphenyl)propan-1-one
CID 167626065

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methoxybenzene-1,4-diamine?
The IUPAC name of 2-fluoro-5-methoxybenzene-1,4-diamine (CID 107258755) is 2-fluoro-5-methoxybenzene-1,4-diamine.
What is the SMILES notation for 2-fluoro-5-methoxybenzene-1,4-diamine?
The canonical SMILES for 2-fluoro-5-methoxybenzene-1,4-diamine is COc1cc(N)c(F)cc1N.
What is the InChIKey of 2-fluoro-5-methoxybenzene-1,4-diamine?
The InChIKey is FRMXTQFATAQLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O/c1-11-7-3-5(9)4(8)2-6(7)10/h2-3H,9-10H2,1H3.
What are the key properties of 2-fluoro-5-methoxybenzene-1,4-diamine?
2-fluoro-5-methoxybenzene-1,4-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 2-fluoro-5-methoxybenzene-1,4-diamine is sourced from PubChem (CID 107258755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).