2,3-difluoro-4-(2-methoxyethoxy)benzonitrile

C10H9F2NO2 — CID 167407689

IUPAC2,3-difluoro-4-(2-methoxyethoxy)benzonitrile
SMILESCOCCOc1ccc(C#N)c(F)c1F
InChIInChI=1S/C10H9F2NO2/c1-14-4-5-15-8-3-2-7(6-13)9(11)10(8)12/h2-3H,4-5H2,1H3
InChIKeyXBSKVFQKPQDMMP-UHFFFAOYSA-N
MW213.18 g/mol
LogP1.86
Rot. Bonds4

About 2,3-difluoro-4-(2-methoxyethoxy)benzonitrile

2,3-difluoro-4-(2-methoxyethoxy)benzonitrile (PubChem CID 167407689) has the molecular formula C10H9F2NO2 and a molecular weight of 213.18 g/mol. Its IUPAC name is 2,3-difluoro-4-(2-methoxyethoxy)benzonitrile.

Molecular Properties

Compound Name2,3-difluoro-4-(2-methoxyethoxy)benzonitrile
PubChem CID167407689
Molecular FormulaC10H9F2NO2
Molecular Weight213.18 g/mol
Exact Mass213.06
IUPAC Name2,3-difluoro-4-(2-methoxyethoxy)benzonitrile
SMILESCOCCOc1ccc(C#N)c(F)c1F
InChIInChI=1S/C10H9F2NO2/c1-14-4-5-15-8-3-2-7(6-13)9(11)10(8)12/h2-3H,4-5H2,1H3
InChIKeyXBSKVFQKPQDMMP-UHFFFAOYSA-N
XLogP1.86
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.18
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzonitrile
CID 107534437
2-bromo-3-fluoro-4-[2-(3-methoxypropoxy)ethoxy]benzonitrile
CID 107534458
methyl 3-cyano-4-(2-methoxyethoxy)benzoate
CID 163228135
5-fluoro-2-(2-methoxyethoxy)-4-methylbenzonitrile
CID 67585577
5-fluoro-2-[2-(3-methoxypropoxy)ethoxy]benzonitrile
CID 103177563
3,4-diethoxy-2-fluorobenzonitrile
CID 23093717
2-fluoro-3-(methoxymethoxy)benzonitrile
CID 142496816
4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorobenzonitrile
CID 23052033
2-bromo-3-fluoro-4-(2-propoxyethoxy)benzonitrile
CID 107534385
2-(2-ethoxyethoxy)-5-fluorobenzonitrile
CID 63669220
2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzonitrile
CID 23052003
2-bromo-3-(2-methoxyethoxy)benzonitrile
CID 172915395

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-(2-methoxyethoxy)benzonitrile?
The IUPAC name of 2,3-difluoro-4-(2-methoxyethoxy)benzonitrile (CID 167407689) is 2,3-difluoro-4-(2-methoxyethoxy)benzonitrile.
What is the SMILES notation for 2,3-difluoro-4-(2-methoxyethoxy)benzonitrile?
The canonical SMILES for 2,3-difluoro-4-(2-methoxyethoxy)benzonitrile is COCCOc1ccc(C#N)c(F)c1F.
What is the InChIKey of 2,3-difluoro-4-(2-methoxyethoxy)benzonitrile?
The InChIKey is XBSKVFQKPQDMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO2/c1-14-4-5-15-8-3-2-7(6-13)9(11)10(8)12/h2-3H,4-5H2,1H3.
What are the key properties of 2,3-difluoro-4-(2-methoxyethoxy)benzonitrile?
2,3-difluoro-4-(2-methoxyethoxy)benzonitrile has a molecular weight of 213.18 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-(2-methoxyethoxy)benzonitrile is sourced from PubChem (CID 167407689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).