1-[5-amino-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone

C14H11F3N2O2 — CID 116541482

IUPAC1-[5-amino-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone
SMILESCC(=O)c1cc(N)ccc1Oc1cccc(C(F)(F)F)n1
InChIInChI=1S/C14H11F3N2O2/c1-8(20)10-7-9(18)5-6-11(10)21-13-4-2-3-12(19-13)14(15,16)17/h2-7H,18H2,1H3
InChIKeyYOWKAHYBQZSXMB-UHFFFAOYSA-N
MW296.25 g/mol
LogP3.68
Rot. Bonds3

About 1-[5-amino-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone

1-[5-amino-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone (PubChem CID 116541482) has the molecular formula C14H11F3N2O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is 1-[5-amino-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[5-amino-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone
PubChem CID116541482
Molecular FormulaC14H11F3N2O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC Name1-[5-amino-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone
SMILESCC(=O)c1cc(N)ccc1Oc1cccc(C(F)(F)F)n1
InChIInChI=1S/C14H11F3N2O2/c1-8(20)10-7-9(18)5-6-11(10)21-13-4-2-3-12(19-13)14(15,16)17/h2-7H,18H2,1H3
InChIKeyYOWKAHYBQZSXMB-UHFFFAOYSA-N
XLogP3.68
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 62109783
2,5-dimethyl-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 63181050
4-(2-acetyl-4-aminophenoxy)-2-methyl-1H-pyrimidin-6-one
CID 114578883
1-[5-amino-2-(1,2,4-benzotriazin-3-yloxy)phenyl]ethanone
CID 103204594
1-(5-amino-2-phthalazin-1-yloxyphenyl)ethanone
CID 116541453
5-(2-acetyl-4-aminophenoxy)pyrazine-2-carbonitrile
CID 116541439
1-[5-amino-2-[(2-methoxy-4-pyridinyl)oxy]phenyl]ethanone
CID 116541549
1-(5-amino-2-propan-2-yloxyphenyl)ethanone
CID 70224609
1-[5-amino-2-[(3-propoxy-2-pyridinyl)oxy]phenyl]ethanone
CID 116541551
2-(2-acetyl-4-aminophenoxy)-6-chlorobenzonitrile
CID 116541422
1-[5-amino-2-(3-methyltriazol-4-yl)oxyphenyl]ethanone
CID 114222924
1-(5-amino-2-ethoxyphenyl)ethanone;hydrochloride
CID 23470682

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone?
The IUPAC name of 1-[5-amino-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone (CID 116541482) is 1-[5-amino-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone.
What is the SMILES notation for 1-[5-amino-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone?
The canonical SMILES for 1-[5-amino-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone is CC(=O)c1cc(N)ccc1Oc1cccc(C(F)(F)F)n1.
What is the InChIKey of 1-[5-amino-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone?
The InChIKey is YOWKAHYBQZSXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2/c1-8(20)10-7-9(18)5-6-11(10)21-13-4-2-3-12(19-13)14(15,16)17/h2-7H,18H2,1H3.
What are the key properties of 1-[5-amino-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone?
1-[5-amino-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone has a molecular weight of 296.25 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone is sourced from PubChem (CID 116541482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).