2-(2,5-difluorophenoxy)-5-(trifluoromethyl)benzonitrile

C14H6F5NO — CID 63269377

IUPAC2-(2,5-difluorophenoxy)-5-(trifluoromethyl)benzonitrile
SMILESN#Cc1cc(C(F)(F)F)ccc1Oc1cc(F)ccc1F
InChIInChI=1S/C14H6F5NO/c15-10-2-3-11(16)13(6-10)21-12-4-1-9(14(17,18)19)5-8(12)7-20/h1-6H
InChIKeyVQVVYMXBJZICKT-UHFFFAOYSA-N
MW299.20 g/mol
LogP4.65
Rot. Bonds2

About 2-(2,5-difluorophenoxy)-5-(trifluoromethyl)benzonitrile

2-(2,5-difluorophenoxy)-5-(trifluoromethyl)benzonitrile (PubChem CID 63269377) has the molecular formula C14H6F5NO and a molecular weight of 299.20 g/mol. Its IUPAC name is 2-(2,5-difluorophenoxy)-5-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name2-(2,5-difluorophenoxy)-5-(trifluoromethyl)benzonitrile
PubChem CID63269377
Molecular FormulaC14H6F5NO
Molecular Weight299.20 g/mol
Exact Mass299.04
IUPAC Name2-(2,5-difluorophenoxy)-5-(trifluoromethyl)benzonitrile
SMILESN#Cc1cc(C(F)(F)F)ccc1Oc1cc(F)ccc1F
InChIInChI=1S/C14H6F5NO/c15-10-2-3-11(16)13(6-10)21-12-4-1-9(14(17,18)19)5-8(12)7-20/h1-6H
InChIKeyVQVVYMXBJZICKT-UHFFFAOYSA-N
XLogP4.65
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-fluorophenoxy)-5-(trifluoromethyl)benzonitrile
CID 114672339
5-amino-2-(2,5-difluorophenoxy)benzonitrile
CID 55167360
2-(2-hydroxyphenoxy)-5-(trifluoromethyl)benzonitrile
CID 12805692
2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzonitrile
CID 163361366
2-(2-fluoro-4-formylphenoxy)-5-(trifluoromethyl)benzonitrile
CID 118679156
5-fluoro-2-(2-fluoro-5-methylphenoxy)benzonitrile
CID 64855784
2-[2-chloro-4-(trifluoromethyl)phenoxy]benzonitrile
CID 83409482
2-(4-nitrophenoxy)-5-(trifluoromethyl)benzonitrile
CID 23344653
5-chloro-2-(2-fluoro-5-methylphenoxy)benzonitrile
CID 64855399
2-methoxy-4-(trifluoromethyl)benzonitrile
CID 19001376
2-(3-hydroxypropoxy)-5-(trifluoromethyl)benzonitrile
CID 43153605
2-(2-tert-butylphenoxy)-5-fluorobenzonitrile
CID 63668027

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenoxy)-5-(trifluoromethyl)benzonitrile?
The IUPAC name of 2-(2,5-difluorophenoxy)-5-(trifluoromethyl)benzonitrile (CID 63269377) is 2-(2,5-difluorophenoxy)-5-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 2-(2,5-difluorophenoxy)-5-(trifluoromethyl)benzonitrile?
The canonical SMILES for 2-(2,5-difluorophenoxy)-5-(trifluoromethyl)benzonitrile is N#Cc1cc(C(F)(F)F)ccc1Oc1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluorophenoxy)-5-(trifluoromethyl)benzonitrile?
The InChIKey is VQVVYMXBJZICKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F5NO/c15-10-2-3-11(16)13(6-10)21-12-4-1-9(14(17,18)19)5-8(12)7-20/h1-6H.
What are the key properties of 2-(2,5-difluorophenoxy)-5-(trifluoromethyl)benzonitrile?
2-(2,5-difluorophenoxy)-5-(trifluoromethyl)benzonitrile has a molecular weight of 299.20 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenoxy)-5-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 63269377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).