3-fluoro-4-[3-(trifluoromethyl)phenoxy]benzonitrile

C14H7F4NO — CID 43657472

IUPAC3-fluoro-4-[3-(trifluoromethyl)phenoxy]benzonitrile
SMILESN#Cc1ccc(Oc2cccc(C(F)(F)F)c2)c(F)c1
InChIInChI=1S/C14H7F4NO/c15-12-6-9(8-19)4-5-13(12)20-11-3-1-2-10(7-11)14(16,17)18/h1-7H
InChIKeyOFUFNVKKUPZTJV-UHFFFAOYSA-N
MW281.21 g/mol
LogP4.51
Rot. Bonds2

About 3-fluoro-4-[3-(trifluoromethyl)phenoxy]benzonitrile

3-fluoro-4-[3-(trifluoromethyl)phenoxy]benzonitrile (PubChem CID 43657472) has the molecular formula C14H7F4NO and a molecular weight of 281.21 g/mol. Its IUPAC name is 3-fluoro-4-[3-(trifluoromethyl)phenoxy]benzonitrile.

Molecular Properties

Compound Name3-fluoro-4-[3-(trifluoromethyl)phenoxy]benzonitrile
PubChem CID43657472
Molecular FormulaC14H7F4NO
Molecular Weight281.21 g/mol
Exact Mass281.05
IUPAC Name3-fluoro-4-[3-(trifluoromethyl)phenoxy]benzonitrile
SMILESN#Cc1ccc(Oc2cccc(C(F)(F)F)c2)c(F)c1
InChIInChI=1S/C14H7F4NO/c15-12-6-9(8-19)4-5-13(12)20-11-3-1-2-10(7-11)14(16,17)18/h1-7H
InChIKeyOFUFNVKKUPZTJV-UHFFFAOYSA-N
XLogP4.51
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.21
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[3-(trifluoromethyl)phenoxy]benzonitrile?
The IUPAC name of 3-fluoro-4-[3-(trifluoromethyl)phenoxy]benzonitrile (CID 43657472) is 3-fluoro-4-[3-(trifluoromethyl)phenoxy]benzonitrile.
What is the SMILES notation for 3-fluoro-4-[3-(trifluoromethyl)phenoxy]benzonitrile?
The canonical SMILES for 3-fluoro-4-[3-(trifluoromethyl)phenoxy]benzonitrile is N#Cc1ccc(Oc2cccc(C(F)(F)F)c2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[3-(trifluoromethyl)phenoxy]benzonitrile?
The InChIKey is OFUFNVKKUPZTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F4NO/c15-12-6-9(8-19)4-5-13(12)20-11-3-1-2-10(7-11)14(16,17)18/h1-7H.
What are the key properties of 3-fluoro-4-[3-(trifluoromethyl)phenoxy]benzonitrile?
3-fluoro-4-[3-(trifluoromethyl)phenoxy]benzonitrile has a molecular weight of 281.21 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[3-(trifluoromethyl)phenoxy]benzonitrile is sourced from PubChem (CID 43657472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).