2-chloro-1-[2-(trifluoromethyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]ethanone

C14H7ClF6N2O2 — CID 153312523

IUPAC2-chloro-1-[2-(trifluoromethyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]ethanone
SMILESO=C(CCl)c1ccc(Oc2ccc(C(F)(F)F)nc2)nc1C(F)(F)F
InChIInChI=1S/C14H7ClF6N2O2/c15-5-9(24)8-2-4-11(23-12(8)14(19,20)21)25-7-1-3-10(22-6-7)13(16,17)18/h1-4,6H,5H2
InChIKeyLDMHFKDPSWXNCV-UHFFFAOYSA-N
MW384.66 g/mol
LogP4.73
Rot. Bonds4

About 2-chloro-1-[2-(trifluoromethyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]ethanone

2-chloro-1-[2-(trifluoromethyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]ethanone (PubChem CID 153312523) has the molecular formula C14H7ClF6N2O2 and a molecular weight of 384.66 g/mol. Its IUPAC name is 2-chloro-1-[2-(trifluoromethyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[2-(trifluoromethyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]ethanone
PubChem CID153312523
Molecular FormulaC14H7ClF6N2O2
Molecular Weight384.66 g/mol
Exact Mass384.01
IUPAC Name2-chloro-1-[2-(trifluoromethyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]ethanone
SMILESO=C(CCl)c1ccc(Oc2ccc(C(F)(F)F)nc2)nc1C(F)(F)F
InChIInChI=1S/C14H7ClF6N2O2/c15-5-9(24)8-2-4-11(23-12(8)14(19,20)21)25-7-1-3-10(22-6-7)13(16,17)18/h1-4,6H,5H2
InChIKeyLDMHFKDPSWXNCV-UHFFFAOYSA-N
XLogP4.73
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.66
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[6-[(6-bromo-3-pyridinyl)oxy]-2-(trifluoromethyl)-3-pyridinyl]-2-chloroethanone;1-[6-[(6-bromo-3-pyridinyl)oxy]-2-(trifluoromethyl)-3-pyridinyl]-2-(1,2,4-triazol-1-yl)ethanone;4H-imidazole
CID 159660802
2-chloro-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethanone
CID 53416731
6-(4-bromophenoxy)-2-(trifluoromethyl)pyridine-3-carboxylic acid
CID 155284044
1-[6-(4-chlorophenoxy)-2-(trifluoromethyl)-3-pyridinyl]-2-(1,2,4-triazol-1-yl)ethanone
CID 126601519
3-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine
CID 162608788
[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanamine
CID 155289861
[6-(trifluoromethyl)-3-pyridinyl] carbamate
CID 69179111
6-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]pyridine-2-carboxamide
CID 58349133
5-ethoxy-2-(trifluoromethyl)pyridine
CID 126758289
magnesium;carbanide;6-(4-chlorophenoxy)-N-methoxy-N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide;1-[6-(4-chlorophenoxy)-2-(trifluoromethyl)-3-pyridinyl]ethanone;bromide
CID 159888705
[6-(trifluoromethyl)-3-pyridinyl]oxyboronic acid
CID 53302034
N-[(4-methylsulfonylphenyl)methyl]-5-[[6-(trifluoromethyl)-3-pyridinyl]oxy]spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopentane]-1-carboxamide
CID 90646549

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[2-(trifluoromethyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]ethanone?
The IUPAC name of 2-chloro-1-[2-(trifluoromethyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]ethanone (CID 153312523) is 2-chloro-1-[2-(trifluoromethyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]ethanone.
What is the SMILES notation for 2-chloro-1-[2-(trifluoromethyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]ethanone?
The canonical SMILES for 2-chloro-1-[2-(trifluoromethyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]ethanone is O=C(CCl)c1ccc(Oc2ccc(C(F)(F)F)nc2)nc1C(F)(F)F.
What is the InChIKey of 2-chloro-1-[2-(trifluoromethyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]ethanone?
The InChIKey is LDMHFKDPSWXNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF6N2O2/c15-5-9(24)8-2-4-11(23-12(8)14(19,20)21)25-7-1-3-10(22-6-7)13(16,17)18/h1-4,6H,5H2.
What are the key properties of 2-chloro-1-[2-(trifluoromethyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]ethanone?
2-chloro-1-[2-(trifluoromethyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]ethanone has a molecular weight of 384.66 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[2-(trifluoromethyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]ethanone is sourced from PubChem (CID 153312523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).