2-cyclohexyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone

C15H18F3NO2 — CID 102707747

IUPAC2-cyclohexyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
SMILESCOC(C(=O)c1cnccc1C(F)(F)F)C1CCCCC1
InChIInChI=1S/C15H18F3NO2/c1-21-14(10-5-3-2-4-6-10)13(20)11-9-19-8-7-12(11)15(16,17)18/h7-10,14H,2-6H2,1H3
InChIKeyNNTBXRLIHADNDL-UHFFFAOYSA-N
MW301.31 g/mol
LogP3.88
Rot. Bonds4

About 2-cyclohexyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone

2-cyclohexyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone (PubChem CID 102707747) has the molecular formula C15H18F3NO2 and a molecular weight of 301.31 g/mol. Its IUPAC name is 2-cyclohexyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name2-cyclohexyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
PubChem CID102707747
Molecular FormulaC15H18F3NO2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Name2-cyclohexyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
SMILESCOC(C(=O)c1cnccc1C(F)(F)F)C1CCCCC1
InChIInChI=1S/C15H18F3NO2/c1-21-14(10-5-3-2-4-6-10)13(20)11-9-19-8-7-12(11)15(16,17)18/h7-10,14H,2-6H2,1H3
InChIKeyNNTBXRLIHADNDL-UHFFFAOYSA-N
XLogP3.88
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-methoxy-1-(4-methyl-3-pyridinyl)ethanone
CID 116709093
2-cyclohexyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
CID 102707932
2-cyclohexyl-2-methoxy-1-pyrazin-2-ylethanone
CID 116750925
2-cyclohexyl-2-ethoxy-1-(3-fluoro-4-pyridinyl)ethanone
CID 116751283
ethane;1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 142909767
(1-methoxycycloheptyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707746
N'-(cyclohexanecarbonyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide
CID 5078683
bis[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 151901684
2-cyclobutyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 103168174
2-cyclohexyl-2-methoxy-1-(5-methyl-3-pyridinyl)ethanone
CID 116750950
1-(5-chloro-2-methoxyphenyl)-2-cyclohexyl-2-methoxyethanone
CID 116750880
(3-methyloxolan-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102709614

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone?
The IUPAC name of 2-cyclohexyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone (CID 102707747) is 2-cyclohexyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone.
What is the SMILES notation for 2-cyclohexyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone?
The canonical SMILES for 2-cyclohexyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone is COC(C(=O)c1cnccc1C(F)(F)F)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone?
The InChIKey is NNTBXRLIHADNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO2/c1-21-14(10-5-3-2-4-6-10)13(20)11-9-19-8-7-12(11)15(16,17)18/h7-10,14H,2-6H2,1H3.
What are the key properties of 2-cyclohexyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone?
2-cyclohexyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone has a molecular weight of 301.31 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone is sourced from PubChem (CID 102707747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).