4-(2-amino-5-fluorophenoxy)-2-(trifluoromethyl)benzonitrile

C14H8F4N2O — CID 43363934

IUPAC4-(2-amino-5-fluorophenoxy)-2-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(Oc2cc(F)ccc2N)cc1C(F)(F)F
InChIInChI=1S/C14H8F4N2O/c15-9-2-4-12(20)13(5-9)21-10-3-1-8(7-19)11(6-10)14(16,17)18/h1-6H,20H2
InChIKeyASFPGBMDSUIKSL-UHFFFAOYSA-N
MW296.22 g/mol
LogP4.09
Rot. Bonds2

About 4-(2-amino-5-fluorophenoxy)-2-(trifluoromethyl)benzonitrile

4-(2-amino-5-fluorophenoxy)-2-(trifluoromethyl)benzonitrile (PubChem CID 43363934) has the molecular formula C14H8F4N2O and a molecular weight of 296.22 g/mol. Its IUPAC name is 4-(2-amino-5-fluorophenoxy)-2-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-(2-amino-5-fluorophenoxy)-2-(trifluoromethyl)benzonitrile
PubChem CID43363934
Molecular FormulaC14H8F4N2O
Molecular Weight296.22 g/mol
Exact Mass296.06
IUPAC Name4-(2-amino-5-fluorophenoxy)-2-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(Oc2cc(F)ccc2N)cc1C(F)(F)F
InChIInChI=1S/C14H8F4N2O/c15-9-2-4-12(20)13(5-9)21-10-3-1-8(7-19)11(6-10)14(16,17)18/h1-6H,20H2
InChIKeyASFPGBMDSUIKSL-UHFFFAOYSA-N
XLogP4.09
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.22
LogP ≤ 54.09
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-[2-(1-aminoethyl)-4-fluorophenoxy]-2-(trifluoromethyl)benzonitrile
CID 11702559
4-(2-fluoro-3-methylphenoxy)-2-(trifluoromethyl)benzonitrile
CID 107658030
4-(2,5-dichlorophenoxy)-2-(trifluoromethyl)benzonitrile
CID 43320716
4-(4-methylphenoxy)-2-(trifluoromethyl)benzonitrile
CID 43138559
4-(3,4-dimethylphenoxy)-2-(trifluoromethyl)benzonitrile
CID 43320722
4-(2-chloro-5-methylphenoxy)-2-(trifluoromethyl)benzonitrile
CID 43364396
4-[3-[4-cyano-3-(trifluoromethyl)phenoxy]propoxy]-2-(trifluoromethyl)benzonitrile
CID 11546106
2-amino-5-(2-fluorophenoxy)benzonitrile
CID 115499740
2-(4-bromo-3-fluorophenoxy)-4-fluoroaniline
CID 65203479
4-[5-[4-cyano-3-(trifluoromethyl)phenoxy]pentoxy]-2-(trifluoromethyl)benzonitrile
CID 11517854
4-(4-formylphenoxy)-2-(trifluoromethyl)benzonitrile
CID 51051320
4-amino-3-[4-(trifluoromethyl)phenoxy]benzonitrile
CID 104712583

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-fluorophenoxy)-2-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-(2-amino-5-fluorophenoxy)-2-(trifluoromethyl)benzonitrile (CID 43363934) is 4-(2-amino-5-fluorophenoxy)-2-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-(2-amino-5-fluorophenoxy)-2-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-(2-amino-5-fluorophenoxy)-2-(trifluoromethyl)benzonitrile is N#Cc1ccc(Oc2cc(F)ccc2N)cc1C(F)(F)F.
What is the InChIKey of 4-(2-amino-5-fluorophenoxy)-2-(trifluoromethyl)benzonitrile?
The InChIKey is ASFPGBMDSUIKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4N2O/c15-9-2-4-12(20)13(5-9)21-10-3-1-8(7-19)11(6-10)14(16,17)18/h1-6H,20H2.
What are the key properties of 4-(2-amino-5-fluorophenoxy)-2-(trifluoromethyl)benzonitrile?
4-(2-amino-5-fluorophenoxy)-2-(trifluoromethyl)benzonitrile has a molecular weight of 296.22 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5-fluorophenoxy)-2-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 43363934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).