4-(3-aminophenoxy)-3-(trifluoromethyl)benzonitrile

C14H9F3N2O — CID 115467623

IUPAC4-(3-aminophenoxy)-3-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(Oc2cccc(N)c2)c(C(F)(F)F)c1
InChIInChI=1S/C14H9F3N2O/c15-14(16,17)12-6-9(8-18)4-5-13(12)20-11-3-1-2-10(19)7-11/h1-7H,19H2
InChIKeyWUHHLJBFYCLHGR-UHFFFAOYSA-N
MW278.23 g/mol
LogP3.95
Rot. Bonds2

About 4-(3-aminophenoxy)-3-(trifluoromethyl)benzonitrile

4-(3-aminophenoxy)-3-(trifluoromethyl)benzonitrile (PubChem CID 115467623) has the molecular formula C14H9F3N2O and a molecular weight of 278.23 g/mol. Its IUPAC name is 4-(3-aminophenoxy)-3-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-(3-aminophenoxy)-3-(trifluoromethyl)benzonitrile
PubChem CID115467623
Molecular FormulaC14H9F3N2O
Molecular Weight278.23 g/mol
Exact Mass278.07
IUPAC Name4-(3-aminophenoxy)-3-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(Oc2cccc(N)c2)c(C(F)(F)F)c1
InChIInChI=1S/C14H9F3N2O/c15-14(16,17)12-6-9(8-18)4-5-13(12)20-11-3-1-2-10(19)7-11/h1-7H,19H2
InChIKeyWUHHLJBFYCLHGR-UHFFFAOYSA-N
XLogP3.95
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-cyanophenoxy)-3-(trifluoromethyl)benzonitrile
CID 115467720
4-[4-(hydroxymethyl)phenoxy]-3-(trifluoromethyl)benzonitrile
CID 115468217
6-[4-cyano-2-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile
CID 115467723
4-[4-methoxy-2-(trifluoromethyl)phenoxy]benzonitrile
CID 66790483
4-(5-aminopyrimidin-4-yl)oxy-3-(trifluoromethyl)benzonitrile
CID 115467627
4-[(6-amino-2-pyridinyl)methoxy]-3-(trifluoromethyl)benzonitrile
CID 115468338
4-(difluoromethoxy)-3-(trifluoromethyl)benzonitrile
CID 115467817
calcium;3-(4-amino-2-chlorophenoxy)benzonitrile;dichloride
CID 172810824
4-[(4-amino-5-methyl-2-pyridinyl)oxy]-3-(trifluoromethyl)benzonitrile
CID 83267932
4-[(5-amino-4-methyl-2-pyridinyl)oxy]-3-(trifluoromethyl)benzonitrile
CID 115467611
4-(2-amino-5-chloropyrimidin-4-yl)oxy-3-(trifluoromethyl)benzonitrile
CID 115468416
2-[4-amino-2-(trifluoromethyl)phenoxy]-3-methylbenzonitrile
CID 107111202

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenoxy)-3-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-(3-aminophenoxy)-3-(trifluoromethyl)benzonitrile (CID 115467623) is 4-(3-aminophenoxy)-3-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-(3-aminophenoxy)-3-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-(3-aminophenoxy)-3-(trifluoromethyl)benzonitrile is N#Cc1ccc(Oc2cccc(N)c2)c(C(F)(F)F)c1.
What is the InChIKey of 4-(3-aminophenoxy)-3-(trifluoromethyl)benzonitrile?
The InChIKey is WUHHLJBFYCLHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O/c15-14(16,17)12-6-9(8-18)4-5-13(12)20-11-3-1-2-10(19)7-11/h1-7H,19H2.
What are the key properties of 4-(3-aminophenoxy)-3-(trifluoromethyl)benzonitrile?
4-(3-aminophenoxy)-3-(trifluoromethyl)benzonitrile has a molecular weight of 278.23 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenoxy)-3-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 115467623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).