2,4-difluoro-5-(methoxymethoxy)benzonitrile

C9H7F2NO2 — CID 142496952

IUPAC2,4-difluoro-5-(methoxymethoxy)benzonitrile
SMILESCOCOc1cc(C#N)c(F)cc1F
InChIInChI=1S/C9H7F2NO2/c1-13-5-14-9-2-6(4-12)7(10)3-8(9)11/h2-3H,5H2,1H3
InChIKeyFYKCZBFIQOBLFB-UHFFFAOYSA-N
MW199.16 g/mol
LogP1.82
Rot. Bonds3

About 2,4-difluoro-5-(methoxymethoxy)benzonitrile

2,4-difluoro-5-(methoxymethoxy)benzonitrile (PubChem CID 142496952) has the molecular formula C9H7F2NO2 and a molecular weight of 199.16 g/mol. Its IUPAC name is 2,4-difluoro-5-(methoxymethoxy)benzonitrile.

Molecular Properties

Compound Name2,4-difluoro-5-(methoxymethoxy)benzonitrile
PubChem CID142496952
Molecular FormulaC9H7F2NO2
Molecular Weight199.16 g/mol
Exact Mass199.04
IUPAC Name2,4-difluoro-5-(methoxymethoxy)benzonitrile
SMILESCOCOc1cc(C#N)c(F)cc1F
InChIInChI=1S/C9H7F2NO2/c1-13-5-14-9-2-6(4-12)7(10)3-8(9)11/h2-3H,5H2,1H3
InChIKeyFYKCZBFIQOBLFB-UHFFFAOYSA-N
XLogP1.82
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-(methoxymethoxy)benzonitrile?
The IUPAC name of 2,4-difluoro-5-(methoxymethoxy)benzonitrile (CID 142496952) is 2,4-difluoro-5-(methoxymethoxy)benzonitrile.
What is the SMILES notation for 2,4-difluoro-5-(methoxymethoxy)benzonitrile?
The canonical SMILES for 2,4-difluoro-5-(methoxymethoxy)benzonitrile is COCOc1cc(C#N)c(F)cc1F.
What is the InChIKey of 2,4-difluoro-5-(methoxymethoxy)benzonitrile?
The InChIKey is FYKCZBFIQOBLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2NO2/c1-13-5-14-9-2-6(4-12)7(10)3-8(9)11/h2-3H,5H2,1H3.
What are the key properties of 2,4-difluoro-5-(methoxymethoxy)benzonitrile?
2,4-difluoro-5-(methoxymethoxy)benzonitrile has a molecular weight of 199.16 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-(methoxymethoxy)benzonitrile is sourced from PubChem (CID 142496952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).