4-[(2-cyanophenyl)methoxy]-2-fluorobenzonitrile

C15H9FN2O — CID 78952814

IUPAC4-[(2-cyanophenyl)methoxy]-2-fluorobenzonitrile
SMILESN#Cc1ccc(OCc2ccccc2C#N)cc1F
InChIInChI=1S/C15H9FN2O/c16-15-7-14(6-5-12(15)9-18)19-10-13-4-2-1-3-11(13)8-17/h1-7H,10H2
InChIKeySETMBBDKUDAYPQ-UHFFFAOYSA-N
MW252.25 g/mol
LogP3.15
Rot. Bonds3

About 4-[(2-cyanophenyl)methoxy]-2-fluorobenzonitrile

4-[(2-cyanophenyl)methoxy]-2-fluorobenzonitrile (PubChem CID 78952814) has the molecular formula C15H9FN2O and a molecular weight of 252.25 g/mol. Its IUPAC name is 4-[(2-cyanophenyl)methoxy]-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-[(2-cyanophenyl)methoxy]-2-fluorobenzonitrile
PubChem CID78952814
Molecular FormulaC15H9FN2O
Molecular Weight252.25 g/mol
Exact Mass252.07
IUPAC Name4-[(2-cyanophenyl)methoxy]-2-fluorobenzonitrile
SMILESN#Cc1ccc(OCc2ccccc2C#N)cc1F
InChIInChI=1S/C15H9FN2O/c16-15-7-14(6-5-12(15)9-18)19-10-13-4-2-1-3-11(13)8-17/h1-7H,10H2
InChIKeySETMBBDKUDAYPQ-UHFFFAOYSA-N
XLogP3.15
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyanophenyl)methoxy]-2-fluorobenzonitrile?
The IUPAC name of 4-[(2-cyanophenyl)methoxy]-2-fluorobenzonitrile (CID 78952814) is 4-[(2-cyanophenyl)methoxy]-2-fluorobenzonitrile.
What is the SMILES notation for 4-[(2-cyanophenyl)methoxy]-2-fluorobenzonitrile?
The canonical SMILES for 4-[(2-cyanophenyl)methoxy]-2-fluorobenzonitrile is N#Cc1ccc(OCc2ccccc2C#N)cc1F.
What is the InChIKey of 4-[(2-cyanophenyl)methoxy]-2-fluorobenzonitrile?
The InChIKey is SETMBBDKUDAYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2O/c16-15-7-14(6-5-12(15)9-18)19-10-13-4-2-1-3-11(13)8-17/h1-7H,10H2.
What are the key properties of 4-[(2-cyanophenyl)methoxy]-2-fluorobenzonitrile?
4-[(2-cyanophenyl)methoxy]-2-fluorobenzonitrile has a molecular weight of 252.25 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyanophenyl)methoxy]-2-fluorobenzonitrile is sourced from PubChem (CID 78952814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).