2-[2-chloro-4-(trifluoromethyl)phenoxy]benzonitrile

C14H7ClF3NO — CID 83409482

IUPAC2-[2-chloro-4-(trifluoromethyl)phenoxy]benzonitrile
SMILESN#Cc1ccccc1Oc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H7ClF3NO/c15-11-7-10(14(16,17)18)5-6-13(11)20-12-4-2-1-3-9(12)8-19/h1-7H
InChIKeyRDUOCKQFBPGSSB-UHFFFAOYSA-N
MW297.66 g/mol
LogP5.02
Rot. Bonds2

About 2-[2-chloro-4-(trifluoromethyl)phenoxy]benzonitrile

2-[2-chloro-4-(trifluoromethyl)phenoxy]benzonitrile (PubChem CID 83409482) has the molecular formula C14H7ClF3NO and a molecular weight of 297.66 g/mol. Its IUPAC name is 2-[2-chloro-4-(trifluoromethyl)phenoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-chloro-4-(trifluoromethyl)phenoxy]benzonitrile
PubChem CID83409482
Molecular FormulaC14H7ClF3NO
Molecular Weight297.66 g/mol
Exact Mass297.02
IUPAC Name2-[2-chloro-4-(trifluoromethyl)phenoxy]benzonitrile
SMILESN#Cc1ccccc1Oc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H7ClF3NO/c15-11-7-10(14(16,17)18)5-6-13(11)20-12-4-2-1-3-9(12)8-19/h1-7H
InChIKeyRDUOCKQFBPGSSB-UHFFFAOYSA-N
XLogP5.02
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.66
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-hydroxyphenoxy)-5-(trifluoromethyl)benzonitrile
CID 12805692
2-(2-cyanophenoxy)benzonitrile
CID 13435570
1-[2-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]ethanone
CID 20571965
2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzonitrile
CID 163361366
2-(2,5-difluorophenoxy)-5-(trifluoromethyl)benzonitrile
CID 63269377
methyl 2-[2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]-4-cyanophenoxy]propanoate
CID 70569196
4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-(1-hydroxypropan-2-yloxy)benzonitrile
CID 70567304
2-(4-chloro-2-methylphenoxy)benzonitrile
CID 29271397
2-(2-amino-3-chlorophenoxy)benzonitrile
CID 104834949
1-(4-tert-butylphenoxy)-2-chloro-4-(trifluoromethyl)benzene
CID 70799689
2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanenitrile
CID 20536118
1-(2-bromoethenyl)-3-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzene
CID 154280488

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(trifluoromethyl)phenoxy]benzonitrile?
The IUPAC name of 2-[2-chloro-4-(trifluoromethyl)phenoxy]benzonitrile (CID 83409482) is 2-[2-chloro-4-(trifluoromethyl)phenoxy]benzonitrile.
What is the SMILES notation for 2-[2-chloro-4-(trifluoromethyl)phenoxy]benzonitrile?
The canonical SMILES for 2-[2-chloro-4-(trifluoromethyl)phenoxy]benzonitrile is N#Cc1ccccc1Oc1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[2-chloro-4-(trifluoromethyl)phenoxy]benzonitrile?
The InChIKey is RDUOCKQFBPGSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF3NO/c15-11-7-10(14(16,17)18)5-6-13(11)20-12-4-2-1-3-9(12)8-19/h1-7H.
What are the key properties of 2-[2-chloro-4-(trifluoromethyl)phenoxy]benzonitrile?
2-[2-chloro-4-(trifluoromethyl)phenoxy]benzonitrile has a molecular weight of 297.66 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(trifluoromethyl)phenoxy]benzonitrile is sourced from PubChem (CID 83409482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).