3-chloro-2-[4-(trifluoromethoxy)phenyl]benzonitrile

C14H7ClF3NO — CID 134630909

IUPAC3-chloro-2-[4-(trifluoromethoxy)phenyl]benzonitrile
SMILESN#Cc1cccc(Cl)c1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H7ClF3NO/c15-12-3-1-2-10(8-19)13(12)9-4-6-11(7-5-9)20-14(16,17)18/h1-7H
InChIKeyIOUYLHRNAAQMSC-UHFFFAOYSA-N
MW297.66 g/mol
LogP4.78
Rot. Bonds2

About 3-chloro-2-[4-(trifluoromethoxy)phenyl]benzonitrile

3-chloro-2-[4-(trifluoromethoxy)phenyl]benzonitrile (PubChem CID 134630909) has the molecular formula C14H7ClF3NO and a molecular weight of 297.66 g/mol. Its IUPAC name is 3-chloro-2-[4-(trifluoromethoxy)phenyl]benzonitrile.

Molecular Properties

Compound Name3-chloro-2-[4-(trifluoromethoxy)phenyl]benzonitrile
PubChem CID134630909
Molecular FormulaC14H7ClF3NO
Molecular Weight297.66 g/mol
Exact Mass297.02
IUPAC Name3-chloro-2-[4-(trifluoromethoxy)phenyl]benzonitrile
SMILESN#Cc1cccc(Cl)c1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H7ClF3NO/c15-12-3-1-2-10(8-19)13(12)9-4-6-11(7-5-9)20-14(16,17)18/h1-7H
InChIKeyIOUYLHRNAAQMSC-UHFFFAOYSA-N
XLogP4.78
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.66
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-[4-(trifluoromethoxy)phenyl]benzonitrile
CID 119023904
2-(2,3-dichlorophenyl)-4-(trifluoromethoxy)benzonitrile
CID 172989669
10-[4-(trifluoromethoxy)phenyl]anthracene-9-carbonitrile
CID 170561650
1,2,5-trichloro-3-[4-(trifluoromethoxy)phenyl]benzene
CID 119016233
1-chloro-3-fluoro-4-methyl-2-[4-(trifluoromethoxy)phenyl]benzene
CID 164895087
1-chloro-2,3,5,6-tetrafluoro-4-[4-(trifluoromethoxy)phenyl]benzene
CID 134627917
[2-chloro-6-[4-(trifluoromethoxy)phenyl]phenyl]methanamine
CID 134631491
9-(dicyanomethylidene)-3,6-bis[4-(trifluoromethoxy)phenyl]fluorene-2,7-dicarbonitrile
CID 154028905
9-phenyl-10-[4-(trifluoromethoxy)phenyl]anthracene
CID 170391358
3-chloro-2-(2,3,5-trichlorophenyl)benzonitrile
CID 134630536
2-amino-5,6-dimethyl-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
CID 4633998
3-(3-chloro-2-fluorophenyl)-5-(trifluoromethoxy)benzonitrile
CID 172990949

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[4-(trifluoromethoxy)phenyl]benzonitrile?
The IUPAC name of 3-chloro-2-[4-(trifluoromethoxy)phenyl]benzonitrile (CID 134630909) is 3-chloro-2-[4-(trifluoromethoxy)phenyl]benzonitrile.
What is the SMILES notation for 3-chloro-2-[4-(trifluoromethoxy)phenyl]benzonitrile?
The canonical SMILES for 3-chloro-2-[4-(trifluoromethoxy)phenyl]benzonitrile is N#Cc1cccc(Cl)c1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-chloro-2-[4-(trifluoromethoxy)phenyl]benzonitrile?
The InChIKey is IOUYLHRNAAQMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF3NO/c15-12-3-1-2-10(8-19)13(12)9-4-6-11(7-5-9)20-14(16,17)18/h1-7H.
What are the key properties of 3-chloro-2-[4-(trifluoromethoxy)phenyl]benzonitrile?
3-chloro-2-[4-(trifluoromethoxy)phenyl]benzonitrile has a molecular weight of 297.66 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[4-(trifluoromethoxy)phenyl]benzonitrile is sourced from PubChem (CID 134630909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).