(5-ethoxy-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone

C15H18F3NO2 — CID 105124093

IUPAC(5-ethoxy-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone
SMILESCCOc1cncc(C(=O)C2CCCC(C(F)(F)F)C2)c1
InChIInChI=1S/C15H18F3NO2/c1-2-21-13-7-11(8-19-9-13)14(20)10-4-3-5-12(6-10)15(16,17)18/h7-10,12H,2-6H2,1H3
InChIKeyCQLNIQIGCFTDSI-UHFFFAOYSA-N
MW301.31 g/mol
LogP4.03
Rot. Bonds4

About (5-ethoxy-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone

(5-ethoxy-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 105124093) has the molecular formula C15H18F3NO2 and a molecular weight of 301.31 g/mol. Its IUPAC name is (5-ethoxy-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name(5-ethoxy-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone
PubChem CID105124093
Molecular FormulaC15H18F3NO2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Name(5-ethoxy-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone
SMILESCCOc1cncc(C(=O)C2CCCC(C(F)(F)F)C2)c1
InChIInChI=1S/C15H18F3NO2/c1-2-21-13-7-11(8-19-9-13)14(20)10-4-3-5-12(6-10)15(16,17)18/h7-10,12H,2-6H2,1H3
InChIKeyCQLNIQIGCFTDSI-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-ethoxy-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of (5-ethoxy-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone (CID 105124093) is (5-ethoxy-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for (5-ethoxy-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for (5-ethoxy-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone is CCOc1cncc(C(=O)C2CCCC(C(F)(F)F)C2)c1.
What is the InChIKey of (5-ethoxy-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is CQLNIQIGCFTDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO2/c1-2-21-13-7-11(8-19-9-13)14(20)10-4-3-5-12(6-10)15(16,17)18/h7-10,12H,2-6H2,1H3.
What are the key properties of (5-ethoxy-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone?
(5-ethoxy-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 301.31 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethoxy-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 105124093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).