1-N-ethyl-4-fluorobenzene-1,2-diamine

C8H11FN2 — CID 21286303

IUPAC1-N-ethyl-4-fluorobenzene-1,2-diamine
SMILESCCNc1ccc(F)cc1N
InChIInChI=1S/C8H11FN2/c1-2-11-8-4-3-6(9)5-7(8)10/h3-5,11H,2,10H2,1H3
InChIKeyMWWCJCWHUBZEIA-UHFFFAOYSA-N
MW154.19 g/mol
LogP1.84
Rot. Bonds2

About 1-N-ethyl-4-fluorobenzene-1,2-diamine

1-N-ethyl-4-fluorobenzene-1,2-diamine (PubChem CID 21286303) has the molecular formula C8H11FN2 and a molecular weight of 154.19 g/mol. Its IUPAC name is 1-N-ethyl-4-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-4-fluorobenzene-1,2-diamine
PubChem CID21286303
Molecular FormulaC8H11FN2
Molecular Weight154.19 g/mol
Exact Mass154.09
IUPAC Name1-N-ethyl-4-fluorobenzene-1,2-diamine
SMILESCCNc1ccc(F)cc1N
InChIInChI=1S/C8H11FN2/c1-2-11-8-4-3-6(9)5-7(8)10/h3-5,11H,2,10H2,1H3
InChIKeyMWWCJCWHUBZEIA-UHFFFAOYSA-N
XLogP1.84
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-4-fluorobenzene-1,2-diamine?
The IUPAC name of 1-N-ethyl-4-fluorobenzene-1,2-diamine (CID 21286303) is 1-N-ethyl-4-fluorobenzene-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-4-fluorobenzene-1,2-diamine?
The canonical SMILES for 1-N-ethyl-4-fluorobenzene-1,2-diamine is CCNc1ccc(F)cc1N.
What is the InChIKey of 1-N-ethyl-4-fluorobenzene-1,2-diamine?
The InChIKey is MWWCJCWHUBZEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2/c1-2-11-8-4-3-6(9)5-7(8)10/h3-5,11H,2,10H2,1H3.
What are the key properties of 1-N-ethyl-4-fluorobenzene-1,2-diamine?
1-N-ethyl-4-fluorobenzene-1,2-diamine has a molecular weight of 154.19 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-4-fluorobenzene-1,2-diamine is sourced from PubChem (CID 21286303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).