4-(dimethoxymethyl)-2,6-difluorobenzonitrile

C10H9F2NO2 — CID 123326116

IUPAC4-(dimethoxymethyl)-2,6-difluorobenzonitrile
SMILESCOC(OC)c1cc(F)c(C#N)c(F)c1
InChIInChI=1S/C10H9F2NO2/c1-14-10(15-2)6-3-8(11)7(5-13)9(12)4-6/h3-4,10H,1-2H3
InChIKeyWCUBUAGMCFMGEQ-UHFFFAOYSA-N
MW213.18 g/mol
LogP2.13
Rot. Bonds3

About 4-(dimethoxymethyl)-2,6-difluorobenzonitrile

4-(dimethoxymethyl)-2,6-difluorobenzonitrile (PubChem CID 123326116) has the molecular formula C10H9F2NO2 and a molecular weight of 213.18 g/mol. Its IUPAC name is 4-(dimethoxymethyl)-2,6-difluorobenzonitrile.

Molecular Properties

Compound Name4-(dimethoxymethyl)-2,6-difluorobenzonitrile
PubChem CID123326116
Molecular FormulaC10H9F2NO2
Molecular Weight213.18 g/mol
Exact Mass213.06
IUPAC Name4-(dimethoxymethyl)-2,6-difluorobenzonitrile
SMILESCOC(OC)c1cc(F)c(C#N)c(F)c1
InChIInChI=1S/C10H9F2NO2/c1-14-10(15-2)6-3-8(11)7(5-13)9(12)4-6/h3-4,10H,1-2H3
InChIKeyWCUBUAGMCFMGEQ-UHFFFAOYSA-N
XLogP2.13
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.18
LogP ≤ 52.13
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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Related Compounds

4-(difluoromethyl)-2,6-difluorobenzonitrile
CID 119018224
4-(difluoromethoxy)-2,6-difluorobenzonitrile
CID 53417928
2,6-difluoro-4-iodobenzonitrile
CID 19023068
4-[1,2-dihydroxy-4-(methylamino)butyl]-2,6-difluorobenzonitrile
CID 171890638
methyl 2-[5-cyano-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
CID 134675626
CID 155744787
CID 155744787
2,6-difluoro-4-prop-1-en-2-ylbenzonitrile
CID 148649310
2,6-difluoro-4-(4-methylphenyl)benzonitrile
CID 20714839
4-(4-cyano-3,5-difluorophenyl)-3,4-dihydroxybutanoic acid
CID 171878096
methyl N-cyano-N'-[4-(dimethoxymethyl)-2-fluorophenyl]carbamimidothioate
CID 169364758
2,6-difluoro-4-[2-[4-(4-methoxyphenyl)phenyl]ethynyl]benzonitrile
CID 59698412
3-fluoro-6-iodo-2-methoxybenzonitrile
CID 168780938

Frequently Asked Questions

What is the IUPAC name of 4-(dimethoxymethyl)-2,6-difluorobenzonitrile?
The IUPAC name of 4-(dimethoxymethyl)-2,6-difluorobenzonitrile (CID 123326116) is 4-(dimethoxymethyl)-2,6-difluorobenzonitrile.
What is the SMILES notation for 4-(dimethoxymethyl)-2,6-difluorobenzonitrile?
The canonical SMILES for 4-(dimethoxymethyl)-2,6-difluorobenzonitrile is COC(OC)c1cc(F)c(C#N)c(F)c1.
What is the InChIKey of 4-(dimethoxymethyl)-2,6-difluorobenzonitrile?
The InChIKey is WCUBUAGMCFMGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO2/c1-14-10(15-2)6-3-8(11)7(5-13)9(12)4-6/h3-4,10H,1-2H3.
What are the key properties of 4-(dimethoxymethyl)-2,6-difluorobenzonitrile?
4-(dimethoxymethyl)-2,6-difluorobenzonitrile has a molecular weight of 213.18 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)-2,6-difluorobenzonitrile is sourced from PubChem (CID 123326116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).