4-(3-fluorooxetan-3-yl)benzonitrile

C10H8FNO — CID 59504698

IUPAC4-(3-fluorooxetan-3-yl)benzonitrile
SMILESN#Cc1ccc(C2(F)COC2)cc1
InChIInChI=1S/C10H8FNO/c11-10(6-13-7-10)9-3-1-8(5-12)2-4-9/h1-4H,6-7H2
InChIKeyOXMUWMMBQDJNKD-UHFFFAOYSA-N
MW177.18 g/mol
LogP1.75
Rot. Bonds1

About 4-(3-fluorooxetan-3-yl)benzonitrile

4-(3-fluorooxetan-3-yl)benzonitrile (PubChem CID 59504698) has the molecular formula C10H8FNO and a molecular weight of 177.18 g/mol. Its IUPAC name is 4-(3-fluorooxetan-3-yl)benzonitrile.

Molecular Properties

Compound Name4-(3-fluorooxetan-3-yl)benzonitrile
PubChem CID59504698
Molecular FormulaC10H8FNO
Molecular Weight177.18 g/mol
Exact Mass177.06
IUPAC Name4-(3-fluorooxetan-3-yl)benzonitrile
SMILESN#Cc1ccc(C2(F)COC2)cc1
InChIInChI=1S/C10H8FNO/c11-10(6-13-7-10)9-3-1-8(5-12)2-4-9/h1-4H,6-7H2
InChIKeyOXMUWMMBQDJNKD-UHFFFAOYSA-N
XLogP1.75
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorooxetan-3-yl)benzonitrile?
The IUPAC name of 4-(3-fluorooxetan-3-yl)benzonitrile (CID 59504698) is 4-(3-fluorooxetan-3-yl)benzonitrile.
What is the SMILES notation for 4-(3-fluorooxetan-3-yl)benzonitrile?
The canonical SMILES for 4-(3-fluorooxetan-3-yl)benzonitrile is N#Cc1ccc(C2(F)COC2)cc1.
What is the InChIKey of 4-(3-fluorooxetan-3-yl)benzonitrile?
The InChIKey is OXMUWMMBQDJNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO/c11-10(6-13-7-10)9-3-1-8(5-12)2-4-9/h1-4H,6-7H2.
What are the key properties of 4-(3-fluorooxetan-3-yl)benzonitrile?
4-(3-fluorooxetan-3-yl)benzonitrile has a molecular weight of 177.18 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorooxetan-3-yl)benzonitrile is sourced from PubChem (CID 59504698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).