2-(3-fluorophenyl)-5-(trifluoromethyl)benzonitrile

C14H7F4N — CID 46313217

IUPAC2-(3-fluorophenyl)-5-(trifluoromethyl)benzonitrile
SMILESN#Cc1cc(C(F)(F)F)ccc1-c1cccc(F)c1
InChIInChI=1S/C14H7F4N/c15-12-3-1-2-9(7-12)13-5-4-11(14(16,17)18)6-10(13)8-19/h1-7H
InChIKeyCSXCHEOFNRPYEZ-UHFFFAOYSA-N
MW265.21 g/mol
LogP4.38
Rot. Bonds1

About 2-(3-fluorophenyl)-5-(trifluoromethyl)benzonitrile

2-(3-fluorophenyl)-5-(trifluoromethyl)benzonitrile (PubChem CID 46313217) has the molecular formula C14H7F4N and a molecular weight of 265.21 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-(trifluoromethyl)benzonitrile
PubChem CID46313217
Molecular FormulaC14H7F4N
Molecular Weight265.21 g/mol
Exact Mass265.05
IUPAC Name2-(3-fluorophenyl)-5-(trifluoromethyl)benzonitrile
SMILESN#Cc1cc(C(F)(F)F)ccc1-c1cccc(F)c1
InChIInChI=1S/C14H7F4N/c15-12-3-1-2-9(7-12)13-5-4-11(14(16,17)18)6-10(13)8-19/h1-7H
InChIKeyCSXCHEOFNRPYEZ-UHFFFAOYSA-N
XLogP4.38
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.21
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-(trifluoromethyl)benzonitrile?
The IUPAC name of 2-(3-fluorophenyl)-5-(trifluoromethyl)benzonitrile (CID 46313217) is 2-(3-fluorophenyl)-5-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 2-(3-fluorophenyl)-5-(trifluoromethyl)benzonitrile?
The canonical SMILES for 2-(3-fluorophenyl)-5-(trifluoromethyl)benzonitrile is N#Cc1cc(C(F)(F)F)ccc1-c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-5-(trifluoromethyl)benzonitrile?
The InChIKey is CSXCHEOFNRPYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F4N/c15-12-3-1-2-9(7-12)13-5-4-11(14(16,17)18)6-10(13)8-19/h1-7H.
What are the key properties of 2-(3-fluorophenyl)-5-(trifluoromethyl)benzonitrile?
2-(3-fluorophenyl)-5-(trifluoromethyl)benzonitrile has a molecular weight of 265.21 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 46313217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).