6-[3-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-quinolin-2-one

C16H12F3NO2 — CID 86342357

IUPAC6-[3-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(Oc3cccc(C(F)(F)F)c3)ccc2N1
InChIInChI=1S/C16H12F3NO2/c17-16(18,19)11-2-1-3-12(9-11)22-13-5-6-14-10(8-13)4-7-15(21)20-14/h1-3,5-6,8-9H,4,7H2,(H,20,21)
InChIKeyCVCOXCKUXIVJDZ-UHFFFAOYSA-N
MW307.27 g/mol
LogP4.38
Rot. Bonds2

About 6-[3-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-quinolin-2-one

6-[3-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 86342357) has the molecular formula C16H12F3NO2 and a molecular weight of 307.27 g/mol. Its IUPAC name is 6-[3-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[3-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID86342357
Molecular FormulaC16H12F3NO2
Molecular Weight307.27 g/mol
Exact Mass307.08
IUPAC Name6-[3-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(Oc3cccc(C(F)(F)F)c3)ccc2N1
InChIInChI=1S/C16H12F3NO2/c17-16(18,19)11-2-1-3-12(9-11)22-13-5-6-14-10(8-13)4-7-15(21)20-14/h1-3,5-6,8-9H,4,7H2,(H,20,21)
InChIKeyCVCOXCKUXIVJDZ-UHFFFAOYSA-N
XLogP4.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[3-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-quinolin-2-one (CID 86342357) is 6-[3-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[3-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[3-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(Oc3cccc(C(F)(F)F)c3)ccc2N1.
What is the InChIKey of 6-[3-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is CVCOXCKUXIVJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO2/c17-16(18,19)11-2-1-3-12(9-11)22-13-5-6-14-10(8-13)4-7-15(21)20-14/h1-3,5-6,8-9H,4,7H2,(H,20,21).
What are the key properties of 6-[3-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-quinolin-2-one?
6-[3-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 307.27 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 86342357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).