4-(4-fluorooxan-2-yl)benzonitrile

C12H12FNO — CID 146343269

IUPAC4-(4-fluorooxan-2-yl)benzonitrile
SMILESN#Cc1ccc(C2CC(F)CCO2)cc1
InChIInChI=1S/C12H12FNO/c13-11-5-6-15-12(7-11)10-3-1-9(8-14)2-4-10/h1-4,11-12H,5-7H2
InChIKeyQLOAFNWQBRRIDM-UHFFFAOYSA-N
MW205.23 g/mol
LogP2.75
Rot. Bonds1

About 4-(4-fluorooxan-2-yl)benzonitrile

4-(4-fluorooxan-2-yl)benzonitrile (PubChem CID 146343269) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is 4-(4-fluorooxan-2-yl)benzonitrile.

Molecular Properties

Compound Name4-(4-fluorooxan-2-yl)benzonitrile
PubChem CID146343269
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name4-(4-fluorooxan-2-yl)benzonitrile
SMILESN#Cc1ccc(C2CC(F)CCO2)cc1
InChIInChI=1S/C12H12FNO/c13-11-5-6-15-12(7-11)10-3-1-9(8-14)2-4-10/h1-4,11-12H,5-7H2
InChIKeyQLOAFNWQBRRIDM-UHFFFAOYSA-N
XLogP2.75
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorooxan-2-yl)benzonitrile?
The IUPAC name of 4-(4-fluorooxan-2-yl)benzonitrile (CID 146343269) is 4-(4-fluorooxan-2-yl)benzonitrile.
What is the SMILES notation for 4-(4-fluorooxan-2-yl)benzonitrile?
The canonical SMILES for 4-(4-fluorooxan-2-yl)benzonitrile is N#Cc1ccc(C2CC(F)CCO2)cc1.
What is the InChIKey of 4-(4-fluorooxan-2-yl)benzonitrile?
The InChIKey is QLOAFNWQBRRIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO/c13-11-5-6-15-12(7-11)10-3-1-9(8-14)2-4-10/h1-4,11-12H,5-7H2.
What are the key properties of 4-(4-fluorooxan-2-yl)benzonitrile?
4-(4-fluorooxan-2-yl)benzonitrile has a molecular weight of 205.23 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorooxan-2-yl)benzonitrile is sourced from PubChem (CID 146343269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).