2-[(2,6-difluorophenoxy)methyl]-1,3-benzoxazol-6-amine

C14H10F2N2O2 — CID 81268488

IUPAC2-[(2,6-difluorophenoxy)methyl]-1,3-benzoxazol-6-amine
SMILESNc1ccc2nc(COc3c(F)cccc3F)oc2c1
InChIInChI=1S/C14H10F2N2O2/c15-9-2-1-3-10(16)14(9)19-7-13-18-11-5-4-8(17)6-12(11)20-13/h1-6H,7,17H2
InChIKeyWTDJBACGDGLRPC-UHFFFAOYSA-N
MW276.24 g/mol
LogP3.27
Rot. Bonds3

About 2-[(2,6-difluorophenoxy)methyl]-1,3-benzoxazol-6-amine

2-[(2,6-difluorophenoxy)methyl]-1,3-benzoxazol-6-amine (PubChem CID 81268488) has the molecular formula C14H10F2N2O2 and a molecular weight of 276.24 g/mol. Its IUPAC name is 2-[(2,6-difluorophenoxy)methyl]-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name2-[(2,6-difluorophenoxy)methyl]-1,3-benzoxazol-6-amine
PubChem CID81268488
Molecular FormulaC14H10F2N2O2
Molecular Weight276.24 g/mol
Exact Mass276.07
IUPAC Name2-[(2,6-difluorophenoxy)methyl]-1,3-benzoxazol-6-amine
SMILESNc1ccc2nc(COc3c(F)cccc3F)oc2c1
InChIInChI=1S/C14H10F2N2O2/c15-9-2-1-3-10(16)14(9)19-7-13-18-11-5-4-8(17)6-12(11)20-13/h1-6H,7,17H2
InChIKeyWTDJBACGDGLRPC-UHFFFAOYSA-N
XLogP3.27
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 53.27
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 2-[(2,6-difluorophenoxy)methyl]-1,3-benzoxazol-6-amine?
The IUPAC name of 2-[(2,6-difluorophenoxy)methyl]-1,3-benzoxazol-6-amine (CID 81268488) is 2-[(2,6-difluorophenoxy)methyl]-1,3-benzoxazol-6-amine.
What is the SMILES notation for 2-[(2,6-difluorophenoxy)methyl]-1,3-benzoxazol-6-amine?
The canonical SMILES for 2-[(2,6-difluorophenoxy)methyl]-1,3-benzoxazol-6-amine is Nc1ccc2nc(COc3c(F)cccc3F)oc2c1.
What is the InChIKey of 2-[(2,6-difluorophenoxy)methyl]-1,3-benzoxazol-6-amine?
The InChIKey is WTDJBACGDGLRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O2/c15-9-2-1-3-10(16)14(9)19-7-13-18-11-5-4-8(17)6-12(11)20-13/h1-6H,7,17H2.
What are the key properties of 2-[(2,6-difluorophenoxy)methyl]-1,3-benzoxazol-6-amine?
2-[(2,6-difluorophenoxy)methyl]-1,3-benzoxazol-6-amine has a molecular weight of 276.24 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluorophenoxy)methyl]-1,3-benzoxazol-6-amine is sourced from PubChem (CID 81268488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).