6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-3,4-dihydro-2H-naphthalen-1-one

C16H12F3NO2 — CID 21281641

IUPAC6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2cc(Oc3ccc(C(F)(F)F)cn3)ccc21
InChIInChI=1S/C16H12F3NO2/c17-16(18,19)11-4-7-15(20-9-11)22-12-5-6-13-10(8-12)2-1-3-14(13)21/h4-9H,1-3H2
InChIKeyMHWPEBWKAYWZSC-UHFFFAOYSA-N
MW307.27 g/mol
LogP4.41
Rot. Bonds2

About 6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-3,4-dihydro-2H-naphthalen-1-one

6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 21281641) has the molecular formula C16H12F3NO2 and a molecular weight of 307.27 g/mol. Its IUPAC name is 6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID21281641
Molecular FormulaC16H12F3NO2
Molecular Weight307.27 g/mol
Exact Mass307.08
IUPAC Name6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2cc(Oc3ccc(C(F)(F)F)cn3)ccc21
InChIInChI=1S/C16H12F3NO2/c17-16(18,19)11-4-7-15(20-9-11)22-12-5-6-13-10(8-12)2-1-3-14(13)21/h4-9H,1-3H2
InChIKeyMHWPEBWKAYWZSC-UHFFFAOYSA-N
XLogP4.41
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-3,4-dihydro-2H-naphthalen-1-one (CID 21281641) is 6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-3,4-dihydro-2H-naphthalen-1-one is O=C1CCCc2cc(Oc3ccc(C(F)(F)F)cn3)ccc21.
What is the InChIKey of 6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is MHWPEBWKAYWZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO2/c17-16(18,19)11-4-7-15(20-9-11)22-12-5-6-13-10(8-12)2-1-3-14(13)21/h4-9H,1-3H2.
What are the key properties of 6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-3,4-dihydro-2H-naphthalen-1-one?
6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 307.27 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 21281641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).