7-[2-(2,2-difluoroethoxy)ethoxy]-1,2-benzoxazole

C11H11F2NO3 — CID 122142281

IUPAC7-[2-(2,2-difluoroethoxy)ethoxy]-1,2-benzoxazole
SMILESFC(F)COCCOc1cccc2cnoc12
InChIInChI=1S/C11H11F2NO3/c12-10(13)7-15-4-5-16-9-3-1-2-8-6-14-17-11(8)9/h1-3,6,10H,4-5,7H2
InChIKeyKVPDDYRLJRWXJR-UHFFFAOYSA-N
MW243.21 g/mol
LogP2.49
Rot. Bonds6

About 7-[2-(2,2-difluoroethoxy)ethoxy]-1,2-benzoxazole

7-[2-(2,2-difluoroethoxy)ethoxy]-1,2-benzoxazole (PubChem CID 122142281) has the molecular formula C11H11F2NO3 and a molecular weight of 243.21 g/mol. Its IUPAC name is 7-[2-(2,2-difluoroethoxy)ethoxy]-1,2-benzoxazole.

Molecular Properties

Compound Name7-[2-(2,2-difluoroethoxy)ethoxy]-1,2-benzoxazole
PubChem CID122142281
Molecular FormulaC11H11F2NO3
Molecular Weight243.21 g/mol
Exact Mass243.07
IUPAC Name7-[2-(2,2-difluoroethoxy)ethoxy]-1,2-benzoxazole
SMILESFC(F)COCCOc1cccc2cnoc12
InChIInChI=1S/C11H11F2NO3/c12-10(13)7-15-4-5-16-9-3-1-2-8-6-14-17-11(8)9/h1-3,6,10H,4-5,7H2
InChIKeyKVPDDYRLJRWXJR-UHFFFAOYSA-N
XLogP2.49
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-[2-(2,2-difluoroethoxy)ethoxy]-1,2-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[2-(2,2-difluoroethoxy)ethoxy]-1,2-benzoxazole?
The IUPAC name of 7-[2-(2,2-difluoroethoxy)ethoxy]-1,2-benzoxazole (CID 122142281) is 7-[2-(2,2-difluoroethoxy)ethoxy]-1,2-benzoxazole.
What is the SMILES notation for 7-[2-(2,2-difluoroethoxy)ethoxy]-1,2-benzoxazole?
The canonical SMILES for 7-[2-(2,2-difluoroethoxy)ethoxy]-1,2-benzoxazole is FC(F)COCCOc1cccc2cnoc12.
What is the InChIKey of 7-[2-(2,2-difluoroethoxy)ethoxy]-1,2-benzoxazole?
The InChIKey is KVPDDYRLJRWXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO3/c12-10(13)7-15-4-5-16-9-3-1-2-8-6-14-17-11(8)9/h1-3,6,10H,4-5,7H2.
What are the key properties of 7-[2-(2,2-difluoroethoxy)ethoxy]-1,2-benzoxazole?
7-[2-(2,2-difluoroethoxy)ethoxy]-1,2-benzoxazole has a molecular weight of 243.21 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2,2-difluoroethoxy)ethoxy]-1,2-benzoxazole is sourced from PubChem (CID 122142281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).