5-fluoro-2-N,2-N-dimethyl-1,3-benzoxazole-2,6-diamine

C9H10FN3O — CID 89370463

IUPAC5-fluoro-2-N,2-N-dimethyl-1,3-benzoxazole-2,6-diamine
SMILESCN(C)c1nc2cc(F)c(N)cc2o1
InChIInChI=1S/C9H10FN3O/c1-13(2)9-12-7-3-5(10)6(11)4-8(7)14-9/h3-4H,11H2,1-2H3
InChIKeyHYEAYKVFXQUNSM-UHFFFAOYSA-N
MW195.20 g/mol
LogP1.62
Rot. Bonds1

About 5-fluoro-2-N,2-N-dimethyl-1,3-benzoxazole-2,6-diamine

5-fluoro-2-N,2-N-dimethyl-1,3-benzoxazole-2,6-diamine (PubChem CID 89370463) has the molecular formula C9H10FN3O and a molecular weight of 195.20 g/mol. Its IUPAC name is 5-fluoro-2-N,2-N-dimethyl-1,3-benzoxazole-2,6-diamine.

Molecular Properties

Compound Name5-fluoro-2-N,2-N-dimethyl-1,3-benzoxazole-2,6-diamine
PubChem CID89370463
Molecular FormulaC9H10FN3O
Molecular Weight195.20 g/mol
Exact Mass195.08
IUPAC Name5-fluoro-2-N,2-N-dimethyl-1,3-benzoxazole-2,6-diamine
SMILESCN(C)c1nc2cc(F)c(N)cc2o1
InChIInChI=1S/C9H10FN3O/c1-13(2)9-12-7-3-5(10)6(11)4-8(7)14-9/h3-4H,11H2,1-2H3
InChIKeyHYEAYKVFXQUNSM-UHFFFAOYSA-N
XLogP1.62
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-2-N,2-N-dimethyl-1,3-benzoxazole-2,6-diamine?
The IUPAC name of 5-fluoro-2-N,2-N-dimethyl-1,3-benzoxazole-2,6-diamine (CID 89370463) is 5-fluoro-2-N,2-N-dimethyl-1,3-benzoxazole-2,6-diamine.
What is the SMILES notation for 5-fluoro-2-N,2-N-dimethyl-1,3-benzoxazole-2,6-diamine?
The canonical SMILES for 5-fluoro-2-N,2-N-dimethyl-1,3-benzoxazole-2,6-diamine is CN(C)c1nc2cc(F)c(N)cc2o1.
What is the InChIKey of 5-fluoro-2-N,2-N-dimethyl-1,3-benzoxazole-2,6-diamine?
The InChIKey is HYEAYKVFXQUNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3O/c1-13(2)9-12-7-3-5(10)6(11)4-8(7)14-9/h3-4H,11H2,1-2H3.
What are the key properties of 5-fluoro-2-N,2-N-dimethyl-1,3-benzoxazole-2,6-diamine?
5-fluoro-2-N,2-N-dimethyl-1,3-benzoxazole-2,6-diamine has a molecular weight of 195.20 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-N,2-N-dimethyl-1,3-benzoxazole-2,6-diamine is sourced from PubChem (CID 89370463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).