2-(2,2-difluoroethoxymethyl)-1,3-benzoxazol-4-amine

C10H10F2N2O2 — CID 82004432

IUPAC2-(2,2-difluoroethoxymethyl)-1,3-benzoxazol-4-amine
SMILESNc1cccc2oc(COCC(F)F)nc12
InChIInChI=1S/C10H10F2N2O2/c11-8(12)4-15-5-9-14-10-6(13)2-1-3-7(10)16-9/h1-3,8H,4-5,13H2
InChIKeyHQWJDSTWZDEWNO-UHFFFAOYSA-N
MW228.20 g/mol
LogP2.19
Rot. Bonds4

About 2-(2,2-difluoroethoxymethyl)-1,3-benzoxazol-4-amine

2-(2,2-difluoroethoxymethyl)-1,3-benzoxazol-4-amine (PubChem CID 82004432) has the molecular formula C10H10F2N2O2 and a molecular weight of 228.20 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxymethyl)-1,3-benzoxazol-4-amine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxymethyl)-1,3-benzoxazol-4-amine
PubChem CID82004432
Molecular FormulaC10H10F2N2O2
Molecular Weight228.20 g/mol
Exact Mass228.07
IUPAC Name2-(2,2-difluoroethoxymethyl)-1,3-benzoxazol-4-amine
SMILESNc1cccc2oc(COCC(F)F)nc12
InChIInChI=1S/C10H10F2N2O2/c11-8(12)4-15-5-9-14-10-6(13)2-1-3-7(10)16-9/h1-3,8H,4-5,13H2
InChIKeyHQWJDSTWZDEWNO-UHFFFAOYSA-N
XLogP2.19
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 52.19
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-(2,2-difluoroethoxymethyl)-1,3-benzoxazol-4-amine?
The IUPAC name of 2-(2,2-difluoroethoxymethyl)-1,3-benzoxazol-4-amine (CID 82004432) is 2-(2,2-difluoroethoxymethyl)-1,3-benzoxazol-4-amine.
What is the SMILES notation for 2-(2,2-difluoroethoxymethyl)-1,3-benzoxazol-4-amine?
The canonical SMILES for 2-(2,2-difluoroethoxymethyl)-1,3-benzoxazol-4-amine is Nc1cccc2oc(COCC(F)F)nc12.
What is the InChIKey of 2-(2,2-difluoroethoxymethyl)-1,3-benzoxazol-4-amine?
The InChIKey is HQWJDSTWZDEWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O2/c11-8(12)4-15-5-9-14-10-6(13)2-1-3-7(10)16-9/h1-3,8H,4-5,13H2.
What are the key properties of 2-(2,2-difluoroethoxymethyl)-1,3-benzoxazol-4-amine?
2-(2,2-difluoroethoxymethyl)-1,3-benzoxazol-4-amine has a molecular weight of 228.20 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxymethyl)-1,3-benzoxazol-4-amine is sourced from PubChem (CID 82004432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).