1-ethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one

C11H14F3NO — CID 118301545

IUPAC1-ethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
SMILESCCn1cc(C(F)(F)F)cc(C(C)C)c1=O
InChIInChI=1S/C11H14F3NO/c1-4-15-6-8(11(12,13)14)5-9(7(2)3)10(15)16/h5-7H,4H2,1-3H3
InChIKeyCEKXMCDJNMBGME-UHFFFAOYSA-N
MW233.23 g/mol
LogP3.01
Rot. Bonds2

About 1-ethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one

1-ethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one (PubChem CID 118301545) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 1-ethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
PubChem CID118301545
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name1-ethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
SMILESCCn1cc(C(F)(F)F)cc(C(C)C)c1=O
InChIInChI=1S/C11H14F3NO/c1-4-15-6-8(11(12,13)14)5-9(7(2)3)10(15)16/h5-7H,4H2,1-3H3
InChIKeyCEKXMCDJNMBGME-UHFFFAOYSA-N
XLogP3.01
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-ethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one (CID 118301545) is 1-ethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-ethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-ethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one is CCn1cc(C(F)(F)F)cc(C(C)C)c1=O.
What is the InChIKey of 1-ethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is CEKXMCDJNMBGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-4-15-6-8(11(12,13)14)5-9(7(2)3)10(15)16/h5-7H,4H2,1-3H3.
What are the key properties of 1-ethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
1-ethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 233.23 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 118301545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).