[2-(difluoromethoxy)phenyl] cyanate

C8H5F2NO2 — CID 174981539

IUPAC[2-(difluoromethoxy)phenyl] cyanate
SMILESN#COc1ccccc1OC(F)F
InChIInChI=1S/C8H5F2NO2/c9-8(10)13-7-4-2-1-3-6(7)12-5-11/h1-4,8H
InChIKeySMVFRBLQDBBNCF-UHFFFAOYSA-N
MW185.13 g/mol
LogP2.15
Rot. Bonds3

About [2-(difluoromethoxy)phenyl] cyanate

[2-(difluoromethoxy)phenyl] cyanate (PubChem CID 174981539) has the molecular formula C8H5F2NO2 and a molecular weight of 185.13 g/mol. Its IUPAC name is [2-(difluoromethoxy)phenyl] cyanate.

Molecular Properties

Compound Name[2-(difluoromethoxy)phenyl] cyanate
PubChem CID174981539
Molecular FormulaC8H5F2NO2
Molecular Weight185.13 g/mol
Exact Mass185.03
IUPAC Name[2-(difluoromethoxy)phenyl] cyanate
SMILESN#COc1ccccc1OC(F)F
InChIInChI=1S/C8H5F2NO2/c9-8(10)13-7-4-2-1-3-6(7)12-5-11/h1-4,8H
InChIKeySMVFRBLQDBBNCF-UHFFFAOYSA-N
XLogP2.15
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.13
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethoxy)phenyl] cyanate?
The IUPAC name of [2-(difluoromethoxy)phenyl] cyanate (CID 174981539) is [2-(difluoromethoxy)phenyl] cyanate.
What is the SMILES notation for [2-(difluoromethoxy)phenyl] cyanate?
The canonical SMILES for [2-(difluoromethoxy)phenyl] cyanate is N#COc1ccccc1OC(F)F.
What is the InChIKey of [2-(difluoromethoxy)phenyl] cyanate?
The InChIKey is SMVFRBLQDBBNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2NO2/c9-8(10)13-7-4-2-1-3-6(7)12-5-11/h1-4,8H.
What are the key properties of [2-(difluoromethoxy)phenyl] cyanate?
[2-(difluoromethoxy)phenyl] cyanate has a molecular weight of 185.13 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethoxy)phenyl] cyanate is sourced from PubChem (CID 174981539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).