5-fluoro-3-N,3-N-dimethylbenzene-1,3-diamine

C8H11FN2 — CID 60874784

IUPAC5-fluoro-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESCN(C)c1cc(N)cc(F)c1
InChIInChI=1S/C8H11FN2/c1-11(2)8-4-6(9)3-7(10)5-8/h3-5H,10H2,1-2H3
InChIKeyCEURVWXKIDUHRD-UHFFFAOYSA-N
MW154.19 g/mol
LogP1.47
Rot. Bonds1

About 5-fluoro-3-N,3-N-dimethylbenzene-1,3-diamine

5-fluoro-3-N,3-N-dimethylbenzene-1,3-diamine (PubChem CID 60874784) has the molecular formula C8H11FN2 and a molecular weight of 154.19 g/mol. Its IUPAC name is 5-fluoro-3-N,3-N-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name5-fluoro-3-N,3-N-dimethylbenzene-1,3-diamine
PubChem CID60874784
Molecular FormulaC8H11FN2
Molecular Weight154.19 g/mol
Exact Mass154.09
IUPAC Name5-fluoro-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESCN(C)c1cc(N)cc(F)c1
InChIInChI=1S/C8H11FN2/c1-11(2)8-4-6(9)3-7(10)5-8/h3-5H,10H2,1-2H3
InChIKeyCEURVWXKIDUHRD-UHFFFAOYSA-N
XLogP1.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 51.47
H-Bond Donors ≤ 51
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 5-fluoro-3-N,3-N-dimethylbenzene-1,3-diamine?
The IUPAC name of 5-fluoro-3-N,3-N-dimethylbenzene-1,3-diamine (CID 60874784) is 5-fluoro-3-N,3-N-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 5-fluoro-3-N,3-N-dimethylbenzene-1,3-diamine?
The canonical SMILES for 5-fluoro-3-N,3-N-dimethylbenzene-1,3-diamine is CN(C)c1cc(N)cc(F)c1.
What is the InChIKey of 5-fluoro-3-N,3-N-dimethylbenzene-1,3-diamine?
The InChIKey is CEURVWXKIDUHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2/c1-11(2)8-4-6(9)3-7(10)5-8/h3-5H,10H2,1-2H3.
What are the key properties of 5-fluoro-3-N,3-N-dimethylbenzene-1,3-diamine?
5-fluoro-3-N,3-N-dimethylbenzene-1,3-diamine has a molecular weight of 154.19 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-N,3-N-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 60874784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).