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Ethane;1-(4-methoxyoxan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one

C19H32F3NO3 — CID 157041539

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACethane;1-(4-methoxyoxan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
SMILESCC.CC.COC1CCOCC1n1cc(C(F)(F)F)cc(C(C)C)c1=O
InChIInChI=1S/C15H20F3NO3.2C2H6/c1-9(2)11-6-10(15(16,17)18)7-19(14(11)20)12-8-22-5-4-13(12)21-3;2*1-2/h6-7,9,12-13H,4-5,8H2,1-3H3;2*1-2H3
InChIKeyIMVRRUTXCDXEAV-UHFFFAOYSA-N
MW379.46 g/mol
LogP5.02
Rot. Bonds3

About Ethane;1-(4-methoxyoxan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one

Ethane;1-(4-methoxyoxan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one (PubChem CID 157041539) has the molecular formula C19H32F3NO3 and a molecular weight of 379.46 g/mol. Its IUPAC name is ethane;1-(4-methoxyoxan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound NameEthane;1-(4-methoxyoxan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
PubChem CID157041539
Molecular FormulaC19H32F3NO3
Molecular Weight379.46 g/mol
Exact Mass379.23
IUPAC Nameethane;1-(4-methoxyoxan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
SMILESCC.CC.COC1CCOCC1n1cc(C(F)(F)F)cc(C(C)C)c1=O
InChIInChI=1S/C15H20F3NO3.2C2H6/c1-9(2)11-6-10(15(16,17)18)7-19(14(11)20)12-8-22-5-4-13(12)21-3;2*1-2/h6-7,9,12-13H,4-5,8H2,1-3H3;2*1-2H3
InChIKeyIMVRRUTXCDXEAV-UHFFFAOYSA-N
XLogP5.02
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.46
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of Ethane;1-(4-methoxyoxan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of Ethane;1-(4-methoxyoxan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one (CID 157041539) is ethane;1-(4-methoxyoxan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for Ethane;1-(4-methoxyoxan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for Ethane;1-(4-methoxyoxan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one is CC.CC.COC1CCOCC1n1cc(C(F)(F)F)cc(C(C)C)c1=O.
What is the InChIKey of Ethane;1-(4-methoxyoxan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is IMVRRUTXCDXEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO3.2C2H6/c1-9(2)11-6-10(15(16,17)18)7-19(14(11)20)12-8-22-5-4-13(12)21-3;2*1-2/h6-7,9,12-13H,4-5,8H2,1-3H3;2*1-2H3.
What are the key properties of Ethane;1-(4-methoxyoxan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
Ethane;1-(4-methoxyoxan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 379.46 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Ethane;1-(4-methoxyoxan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 157041539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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