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

C13H20F3NO2 — CID 168880258

IUPACethane;1-(2-hydroxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
SMILESCC.CC(C)c1cc(C(F)(F)F)cn(CCO)c1=O
InChIInChI=1S/C11H14F3NO2.C2H6/c1-7(2)9-5-8(11(12,13)14)6-15(3-4-16)10(9)17;1-2/h5-7,16H,3-4H2,1-2H3;1-2H3
InChIKeyAIRXSOKZQZTCCH-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.01
Rot. Bonds3

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

ethane;1-(2-hydroxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one (PubChem CID 168880258) has the molecular formula C13H20F3NO2 and a molecular weight of 279.30 g/mol. Its IUPAC name is ethane;1-(2-hydroxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Nameethane;1-(2-hydroxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
PubChem CID168880258
Molecular FormulaC13H20F3NO2
Molecular Weight279.30 g/mol
Exact Mass279.14
IUPAC Nameethane;1-(2-hydroxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
SMILESCC.CC(C)c1cc(C(F)(F)F)cn(CCO)c1=O
InChIInChI=1S/C11H14F3NO2.C2H6/c1-7(2)9-5-8(11(12,13)14)6-15(3-4-16)10(9)17;1-2/h5-7,16H,3-4H2,1-2H3;1-2H3
InChIKeyAIRXSOKZQZTCCH-UHFFFAOYSA-N
XLogP3.01
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Ethyl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyridin-2-one
CID 89642070
5-ethyl-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]pyridin-2-one
CID 89642071
5-methyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyridin-2-one
CID 89642075
5-Methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyridin-2-one
CID 89642120
5-methyl-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]pyridin-2-one
CID 89642133
5-ethyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyridin-2-one
CID 90227877
5-tert-butyl-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]pyridin-2-one
CID 117836128
5-tert-butyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyridin-2-one
CID 117836137
5-Tert-butyl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyridin-2-one
CID 117836139
1-Ethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 118301545
2-[2-Oxo-3-propan-2-yl-5-(trifluoromethyl)-1-pyridinyl]acetic acid
CID 118301547
1-(Hydroxymethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 118301549

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-hydroxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of ethane;1-(2-hydroxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one (CID 168880258) is ethane;1-(2-hydroxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for ethane;1-(2-hydroxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for ethane;1-(2-hydroxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one is CC.CC(C)c1cc(C(F)(F)F)cn(CCO)c1=O.
What is the InChIKey of ethane;1-(2-hydroxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is AIRXSOKZQZTCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2.C2H6/c1-7(2)9-5-8(11(12,13)14)6-15(3-4-16)10(9)17;1-2/h5-7,16H,3-4H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(2-hydroxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
ethane;1-(2-hydroxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 279.30 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-hydroxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 168880258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).