ethane;3-(trifluoromethyl)-1H-pyridin-2-one

C8H10F3NO — CID 143625936

IUPACethane;3-(trifluoromethyl)-1H-pyridin-2-one
SMILESCC.O=c1[nH]cccc1C(F)(F)F
InChIInChI=1S/C6H4F3NO.C2H6/c7-6(8,9)4-2-1-3-10-5(4)11;1-2/h1-3H,(H,10,11);1-2H3
InChIKeyCGNLCNSMHVWXTL-UHFFFAOYSA-N
MW193.17 g/mol
LogP2.42
Rot. Bonds

About ethane;3-(trifluoromethyl)-1H-pyridin-2-one

ethane;3-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 143625936) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is ethane;3-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Nameethane;3-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID143625936
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Nameethane;3-(trifluoromethyl)-1H-pyridin-2-one
SMILESCC.O=c1[nH]cccc1C(F)(F)F
InChIInChI=1S/C6H4F3NO.C2H6/c7-6(8,9)4-2-1-3-10-5(4)11;1-2/h1-3H,(H,10,11);1-2H3
InChIKeyCGNLCNSMHVWXTL-UHFFFAOYSA-N
XLogP2.42
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;3-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of ethane;3-(trifluoromethyl)-1H-pyridin-2-one (CID 143625936) is ethane;3-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for ethane;3-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for ethane;3-(trifluoromethyl)-1H-pyridin-2-one is CC.O=c1[nH]cccc1C(F)(F)F.
What is the InChIKey of ethane;3-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is CGNLCNSMHVWXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO.C2H6/c7-6(8,9)4-2-1-3-10-5(4)11;1-2/h1-3H,(H,10,11);1-2H3.
What are the key properties of ethane;3-(trifluoromethyl)-1H-pyridin-2-one?
ethane;3-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 193.17 g/mol, XLogP of 2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 143625936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).