6-ethyl-3-(trifluoromethyl)-1H-pyridin-2-one;molecular hydrogen;sulfane

C8H12F3NOS — CID 177016565

IUPAC6-ethyl-3-(trifluoromethyl)-1H-pyridin-2-one;molecular hydrogen;sulfane
SMILESCCc1ccc(C(F)(F)F)c(=O)[nH]1.S.[H][H]
InChIInChI=1S/C8H8F3NO.H2S.H2/c1-2-5-3-4-6(7(13)12-5)8(9,10)11;;/h3-4H,2H2,1H3,(H,12,13);1H2;1H
InChIKeyBMVYPZNZHMGMEC-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.31
Rot. Bonds1

About 6-ethyl-3-(trifluoromethyl)-1H-pyridin-2-one;molecular hydrogen;sulfane

6-ethyl-3-(trifluoromethyl)-1H-pyridin-2-one;molecular hydrogen;sulfane (PubChem CID 177016565) has the molecular formula C8H12F3NOS and a molecular weight of 227.25 g/mol. Its IUPAC name is 6-ethyl-3-(trifluoromethyl)-1H-pyridin-2-one;molecular hydrogen;sulfane.

Molecular Properties

Compound Name6-ethyl-3-(trifluoromethyl)-1H-pyridin-2-one;molecular hydrogen;sulfane
PubChem CID177016565
Molecular FormulaC8H12F3NOS
Molecular Weight227.25 g/mol
Exact Mass227.06
IUPAC Name6-ethyl-3-(trifluoromethyl)-1H-pyridin-2-one;molecular hydrogen;sulfane
SMILESCCc1ccc(C(F)(F)F)c(=O)[nH]1.S.[H][H]
InChIInChI=1S/C8H8F3NO.H2S.H2/c1-2-5-3-4-6(7(13)12-5)8(9,10)11;;/h3-4H,2H2,1H3,(H,12,13);1H2;1H
InChIKeyBMVYPZNZHMGMEC-UHFFFAOYSA-N
XLogP2.31
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-(trifluoromethyl)-1H-pyridin-2-one;molecular hydrogen;sulfane?
The IUPAC name of 6-ethyl-3-(trifluoromethyl)-1H-pyridin-2-one;molecular hydrogen;sulfane (CID 177016565) is 6-ethyl-3-(trifluoromethyl)-1H-pyridin-2-one;molecular hydrogen;sulfane.
What is the SMILES notation for 6-ethyl-3-(trifluoromethyl)-1H-pyridin-2-one;molecular hydrogen;sulfane?
The canonical SMILES for 6-ethyl-3-(trifluoromethyl)-1H-pyridin-2-one;molecular hydrogen;sulfane is CCc1ccc(C(F)(F)F)c(=O)[nH]1.S.[H][H].
What is the InChIKey of 6-ethyl-3-(trifluoromethyl)-1H-pyridin-2-one;molecular hydrogen;sulfane?
The InChIKey is BMVYPZNZHMGMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO.H2S.H2/c1-2-5-3-4-6(7(13)12-5)8(9,10)11;;/h3-4H,2H2,1H3,(H,12,13);1H2;1H.
What are the key properties of 6-ethyl-3-(trifluoromethyl)-1H-pyridin-2-one;molecular hydrogen;sulfane?
6-ethyl-3-(trifluoromethyl)-1H-pyridin-2-one;molecular hydrogen;sulfane has a molecular weight of 227.25 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-(trifluoromethyl)-1H-pyridin-2-one;molecular hydrogen;sulfane is sourced from PubChem (CID 177016565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).