2-fluoro-4-(methoxymethyl)benzonitrile

C9H8FNO — CID 117276304

IUPAC2-fluoro-4-(methoxymethyl)benzonitrile
SMILESCOCc1ccc(C#N)c(F)c1
InChIInChI=1S/C9H8FNO/c1-12-6-7-2-3-8(5-11)9(10)4-7/h2-4H,6H2,1H3
InChIKeyWSPHYTHNDCJJIG-UHFFFAOYSA-N
MW165.17 g/mol
LogP1.84
Rot. Bonds2

About 2-fluoro-4-(methoxymethyl)benzonitrile

2-fluoro-4-(methoxymethyl)benzonitrile (PubChem CID 117276304) has the molecular formula C9H8FNO and a molecular weight of 165.17 g/mol. Its IUPAC name is 2-fluoro-4-(methoxymethyl)benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-(methoxymethyl)benzonitrile
PubChem CID117276304
Molecular FormulaC9H8FNO
Molecular Weight165.17 g/mol
Exact Mass165.06
IUPAC Name2-fluoro-4-(methoxymethyl)benzonitrile
SMILESCOCc1ccc(C#N)c(F)c1
InChIInChI=1S/C9H8FNO/c1-12-6-7-2-3-8(5-11)9(10)4-7/h2-4H,6H2,1H3
InChIKeyWSPHYTHNDCJJIG-UHFFFAOYSA-N
XLogP1.84
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(methoxymethyl)benzonitrile?
The IUPAC name of 2-fluoro-4-(methoxymethyl)benzonitrile (CID 117276304) is 2-fluoro-4-(methoxymethyl)benzonitrile.
What is the SMILES notation for 2-fluoro-4-(methoxymethyl)benzonitrile?
The canonical SMILES for 2-fluoro-4-(methoxymethyl)benzonitrile is COCc1ccc(C#N)c(F)c1.
What is the InChIKey of 2-fluoro-4-(methoxymethyl)benzonitrile?
The InChIKey is WSPHYTHNDCJJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO/c1-12-6-7-2-3-8(5-11)9(10)4-7/h2-4H,6H2,1H3.
What are the key properties of 2-fluoro-4-(methoxymethyl)benzonitrile?
2-fluoro-4-(methoxymethyl)benzonitrile has a molecular weight of 165.17 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(methoxymethyl)benzonitrile is sourced from PubChem (CID 117276304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).