3-(trifluoromethyl)-7,8-dihydro-6H-quinolin-5-one

C10H8F3NO — CID 25324065

IUPAC3-(trifluoromethyl)-7,8-dihydro-6H-quinolin-5-one
SMILESO=C1CCCc2ncc(C(F)(F)F)cc21
InChIInChI=1S/C10H8F3NO/c11-10(12,13)6-4-7-8(14-5-6)2-1-3-9(7)15/h4-5H,1-3H2
InChIKeyPPBDRJRJPMFIMA-UHFFFAOYSA-N
MW215.17 g/mol
LogP2.62
Rot. Bonds

About 3-(trifluoromethyl)-7,8-dihydro-6H-quinolin-5-one

3-(trifluoromethyl)-7,8-dihydro-6H-quinolin-5-one (PubChem CID 25324065) has the molecular formula C10H8F3NO and a molecular weight of 215.17 g/mol. Its IUPAC name is 3-(trifluoromethyl)-7,8-dihydro-6H-quinolin-5-one.

Molecular Properties

Compound Name3-(trifluoromethyl)-7,8-dihydro-6H-quinolin-5-one
PubChem CID25324065
Molecular FormulaC10H8F3NO
Molecular Weight215.17 g/mol
Exact Mass215.06
IUPAC Name3-(trifluoromethyl)-7,8-dihydro-6H-quinolin-5-one
SMILESO=C1CCCc2ncc(C(F)(F)F)cc21
InChIInChI=1S/C10H8F3NO/c11-10(12,13)6-4-7-8(14-5-6)2-1-3-9(7)15/h4-5H,1-3H2
InChIKeyPPBDRJRJPMFIMA-UHFFFAOYSA-N
XLogP2.62
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-7,8-dihydro-6H-quinolin-5-one?
The IUPAC name of 3-(trifluoromethyl)-7,8-dihydro-6H-quinolin-5-one (CID 25324065) is 3-(trifluoromethyl)-7,8-dihydro-6H-quinolin-5-one.
What is the SMILES notation for 3-(trifluoromethyl)-7,8-dihydro-6H-quinolin-5-one?
The canonical SMILES for 3-(trifluoromethyl)-7,8-dihydro-6H-quinolin-5-one is O=C1CCCc2ncc(C(F)(F)F)cc21.
What is the InChIKey of 3-(trifluoromethyl)-7,8-dihydro-6H-quinolin-5-one?
The InChIKey is PPBDRJRJPMFIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO/c11-10(12,13)6-4-7-8(14-5-6)2-1-3-9(7)15/h4-5H,1-3H2.
What are the key properties of 3-(trifluoromethyl)-7,8-dihydro-6H-quinolin-5-one?
3-(trifluoromethyl)-7,8-dihydro-6H-quinolin-5-one has a molecular weight of 215.17 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-7,8-dihydro-6H-quinolin-5-one is sourced from PubChem (CID 25324065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).