4-fluoro-3-(methoxymethyl)benzonitrile

C9H8FNO — CID 24699683

IUPAC4-fluoro-3-(methoxymethyl)benzonitrile
SMILESCOCc1cc(C#N)ccc1F
InChIInChI=1S/C9H8FNO/c1-12-6-8-4-7(5-11)2-3-9(8)10/h2-4H,6H2,1H3
InChIKeyOSUBFWPHMCNSDM-UHFFFAOYSA-N
MW165.17 g/mol
LogP1.84
Rot. Bonds2

About 4-fluoro-3-(methoxymethyl)benzonitrile

4-fluoro-3-(methoxymethyl)benzonitrile (PubChem CID 24699683) has the molecular formula C9H8FNO and a molecular weight of 165.17 g/mol. Its IUPAC name is 4-fluoro-3-(methoxymethyl)benzonitrile.

Molecular Properties

Compound Name4-fluoro-3-(methoxymethyl)benzonitrile
PubChem CID24699683
Molecular FormulaC9H8FNO
Molecular Weight165.17 g/mol
Exact Mass165.06
IUPAC Name4-fluoro-3-(methoxymethyl)benzonitrile
SMILESCOCc1cc(C#N)ccc1F
InChIInChI=1S/C9H8FNO/c1-12-6-8-4-7(5-11)2-3-9(8)10/h2-4H,6H2,1H3
InChIKeyOSUBFWPHMCNSDM-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

4-(Methoxymethyl)benzonitrile
CID 13285141
3-(Benzyloxy)propionitrile
CID 80620
2-Methoxy-2-phenylacetonitrile
CID 320056
2-(Benzyloxy)acetonitrile
CID 3398610
4-(Benzyloxy)butanenitrile
CID 20458213
gamma-Methoxybenzenebutanenitrile
CID 97991
gamma-Ethoxybenzenebutanenitrile
CID 97967
gamma-(1-Methylethoxy)benzenebutanenitrile
CID 97973
4-Methyl-gamma-(1-methylethoxy)benzenebutanenitrile
CID 97975
Methoxyphenyl(trifluoromethyl)acetonitrile
CID 589652
1-(Methoxymethyl)-3-methylbenzene
CID 10351751
4-Methoxy-4-(4-methylphenyl)butanenitrile
CID 97993

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(methoxymethyl)benzonitrile?
The IUPAC name of 4-fluoro-3-(methoxymethyl)benzonitrile (CID 24699683) is 4-fluoro-3-(methoxymethyl)benzonitrile.
What is the SMILES notation for 4-fluoro-3-(methoxymethyl)benzonitrile?
The canonical SMILES for 4-fluoro-3-(methoxymethyl)benzonitrile is COCc1cc(C#N)ccc1F.
What is the InChIKey of 4-fluoro-3-(methoxymethyl)benzonitrile?
The InChIKey is OSUBFWPHMCNSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO/c1-12-6-8-4-7(5-11)2-3-9(8)10/h2-4H,6H2,1H3.
What are the key properties of 4-fluoro-3-(methoxymethyl)benzonitrile?
4-fluoro-3-(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 4-fluoro-3-(methoxymethyl)benzonitrile is sourced from PubChem (CID 24699683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).