ethane;5-(trifluoromethyl)-2,3-dihydro-1H-pyridin-6-one

C8H12F3NO — CID 153363858

IUPACethane;5-(trifluoromethyl)-2,3-dihydro-1H-pyridin-6-one
SMILESCC.O=C1NCCC=C1C(F)(F)F
InChIInChI=1S/C6H6F3NO.C2H6/c7-6(8,9)4-2-1-3-10-5(4)11;1-2/h2H,1,3H2,(H,10,11);1-2H3
InChIKeyBHORMZSMDHJAKA-UHFFFAOYSA-N
MW195.18 g/mol
LogP2.02
Rot. Bonds

About ethane;5-(trifluoromethyl)-2,3-dihydro-1H-pyridin-6-one

ethane;5-(trifluoromethyl)-2,3-dihydro-1H-pyridin-6-one (PubChem CID 153363858) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is ethane;5-(trifluoromethyl)-2,3-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Nameethane;5-(trifluoromethyl)-2,3-dihydro-1H-pyridin-6-one
PubChem CID153363858
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Nameethane;5-(trifluoromethyl)-2,3-dihydro-1H-pyridin-6-one
SMILESCC.O=C1NCCC=C1C(F)(F)F
InChIInChI=1S/C6H6F3NO.C2H6/c7-6(8,9)4-2-1-3-10-5(4)11;1-2/h2H,1,3H2,(H,10,11);1-2H3
InChIKeyBHORMZSMDHJAKA-UHFFFAOYSA-N
XLogP2.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;5-(trifluoromethyl)-2,3-dihydro-1H-pyridin-6-one?
The IUPAC name of ethane;5-(trifluoromethyl)-2,3-dihydro-1H-pyridin-6-one (CID 153363858) is ethane;5-(trifluoromethyl)-2,3-dihydro-1H-pyridin-6-one.
What is the SMILES notation for ethane;5-(trifluoromethyl)-2,3-dihydro-1H-pyridin-6-one?
The canonical SMILES for ethane;5-(trifluoromethyl)-2,3-dihydro-1H-pyridin-6-one is CC.O=C1NCCC=C1C(F)(F)F.
What is the InChIKey of ethane;5-(trifluoromethyl)-2,3-dihydro-1H-pyridin-6-one?
The InChIKey is BHORMZSMDHJAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NO.C2H6/c7-6(8,9)4-2-1-3-10-5(4)11;1-2/h2H,1,3H2,(H,10,11);1-2H3.
What are the key properties of ethane;5-(trifluoromethyl)-2,3-dihydro-1H-pyridin-6-one?
ethane;5-(trifluoromethyl)-2,3-dihydro-1H-pyridin-6-one has a molecular weight of 195.18 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-(trifluoromethyl)-2,3-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 153363858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).