ethane;1-(oxolan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one

C15H22F3NO2 — CID 164558740

IUPACethane;1-(oxolan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
SMILESCC.CC(C)c1cc(C(F)(F)F)cn(C2CCOC2)c1=O
InChIInChI=1S/C13H16F3NO2.C2H6/c1-8(2)11-5-9(13(14,15)16)6-17(12(11)18)10-3-4-19-7-10;1-2/h5-6,8,10H,3-4,7H2,1-2H3;1-2H3
InChIKeyUVYXPRIFONVYBI-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.98
Rot. Bonds2

About ethane;1-(oxolan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one

ethane;1-(oxolan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one (PubChem CID 164558740) has the molecular formula C15H22F3NO2 and a molecular weight of 305.34 g/mol. Its IUPAC name is ethane;1-(oxolan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Nameethane;1-(oxolan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
PubChem CID164558740
Molecular FormulaC15H22F3NO2
Molecular Weight305.34 g/mol
Exact Mass305.16
IUPAC Nameethane;1-(oxolan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
SMILESCC.CC(C)c1cc(C(F)(F)F)cn(C2CCOC2)c1=O
InChIInChI=1S/C13H16F3NO2.C2H6/c1-8(2)11-5-9(13(14,15)16)6-17(12(11)18)10-3-4-19-7-10;1-2/h5-6,8,10H,3-4,7H2,1-2H3;1-2H3
InChIKeyUVYXPRIFONVYBI-UHFFFAOYSA-N
XLogP3.98
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethane;1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 157041508
Ethane;3-ethyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one
CID 157041510
3-Ethyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one
CID 157041511
Ethane;1-(3-morpholin-4-ylpropyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 157041812
3-Tert-butyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one
CID 157041819
1-(1,4-Dioxan-2-ylmethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;ethane
CID 157041906
1-(Oxan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 164560058
3-Methyl-1-(4-methyloxan-3-yl)-5-(trifluoromethyl)pyridin-2-one
CID 169959735
3-Tert-butyl-1-(4-methyloxan-3-yl)-5-(trifluoromethyl)pyridin-2-one
CID 170109527
5-Fluoro-1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one
CID 178099286
6-Fluoro-1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one
CID 178099296
1-[2-(Difluoromethoxy)ethyl]-3-propan-2-ylpyridin-2-one
CID 178099342

Frequently Asked Questions

What is the IUPAC name of ethane;1-(oxolan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of ethane;1-(oxolan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one (CID 164558740) is ethane;1-(oxolan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for ethane;1-(oxolan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for ethane;1-(oxolan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one is CC.CC(C)c1cc(C(F)(F)F)cn(C2CCOC2)c1=O.
What is the InChIKey of ethane;1-(oxolan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is UVYXPRIFONVYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2.C2H6/c1-8(2)11-5-9(13(14,15)16)6-17(12(11)18)10-3-4-19-7-10;1-2/h5-6,8,10H,3-4,7H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(oxolan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
ethane;1-(oxolan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 305.34 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(oxolan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 164558740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).