propane;6-(trifluoromethyl)-1H-pyridin-2-one

C9H12F3NO — CID 159766661

IUPACpropane;6-(trifluoromethyl)-1H-pyridin-2-one
SMILESCCC.O=c1cccc(C(F)(F)F)[nH]1
InChIInChI=1S/C6H4F3NO.C3H8/c7-6(8,9)4-2-1-3-5(11)10-4;1-3-2/h1-3H,(H,10,11);3H2,1-2H3
InChIKeyNFOYKBLXDIZPHS-UHFFFAOYSA-N
MW207.19 g/mol
LogP2.81
Rot. Bonds

About propane;6-(trifluoromethyl)-1H-pyridin-2-one

propane;6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 159766661) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is propane;6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Namepropane;6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID159766661
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC Namepropane;6-(trifluoromethyl)-1H-pyridin-2-one
SMILESCCC.O=c1cccc(C(F)(F)F)[nH]1
InChIInChI=1S/C6H4F3NO.C3H8/c7-6(8,9)4-2-1-3-5(11)10-4;1-3-2/h1-3H,(H,10,11);3H2,1-2H3
InChIKeyNFOYKBLXDIZPHS-UHFFFAOYSA-N
XLogP2.81
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of propane;6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of propane;6-(trifluoromethyl)-1H-pyridin-2-one (CID 159766661) is propane;6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for propane;6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for propane;6-(trifluoromethyl)-1H-pyridin-2-one is CCC.O=c1cccc(C(F)(F)F)[nH]1.
What is the InChIKey of propane;6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is NFOYKBLXDIZPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO.C3H8/c7-6(8,9)4-2-1-3-5(11)10-4;1-3-2/h1-3H,(H,10,11);3H2,1-2H3.
What are the key properties of propane;6-(trifluoromethyl)-1H-pyridin-2-one?
propane;6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 207.19 g/mol, XLogP of 2.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propane;6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 159766661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).