3,5-bis(2-fluoroethoxy)benzonitrile

C11H11F2NO2 — CID 15058716

IUPAC3,5-bis(2-fluoroethoxy)benzonitrile
SMILESN#Cc1cc(OCCF)cc(OCCF)c1
InChIInChI=1S/C11H11F2NO2/c12-1-3-15-10-5-9(8-14)6-11(7-10)16-4-2-13/h5-7H,1-4H2
InChIKeyDNPXDZNDWQGXSG-UHFFFAOYSA-N
MW227.21 g/mol
LogP2.25
Rot. Bonds6

About 3,5-bis(2-fluoroethoxy)benzonitrile

3,5-bis(2-fluoroethoxy)benzonitrile (PubChem CID 15058716) has the molecular formula C11H11F2NO2 and a molecular weight of 227.21 g/mol. Its IUPAC name is 3,5-bis(2-fluoroethoxy)benzonitrile.

Molecular Properties

Compound Name3,5-bis(2-fluoroethoxy)benzonitrile
PubChem CID15058716
Molecular FormulaC11H11F2NO2
Molecular Weight227.21 g/mol
Exact Mass227.08
IUPAC Name3,5-bis(2-fluoroethoxy)benzonitrile
SMILESN#Cc1cc(OCCF)cc(OCCF)c1
InChIInChI=1S/C11H11F2NO2/c12-1-3-15-10-5-9(8-14)6-11(7-10)16-4-2-13/h5-7H,1-4H2
InChIKeyDNPXDZNDWQGXSG-UHFFFAOYSA-N
XLogP2.25
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(2-fluoroethoxy)benzonitrile?
The IUPAC name of 3,5-bis(2-fluoroethoxy)benzonitrile (CID 15058716) is 3,5-bis(2-fluoroethoxy)benzonitrile.
What is the SMILES notation for 3,5-bis(2-fluoroethoxy)benzonitrile?
The canonical SMILES for 3,5-bis(2-fluoroethoxy)benzonitrile is N#Cc1cc(OCCF)cc(OCCF)c1.
What is the InChIKey of 3,5-bis(2-fluoroethoxy)benzonitrile?
The InChIKey is DNPXDZNDWQGXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO2/c12-1-3-15-10-5-9(8-14)6-11(7-10)16-4-2-13/h5-7H,1-4H2.
What are the key properties of 3,5-bis(2-fluoroethoxy)benzonitrile?
3,5-bis(2-fluoroethoxy)benzonitrile has a molecular weight of 227.21 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(2-fluoroethoxy)benzonitrile is sourced from PubChem (CID 15058716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).