1-[6-[4-(1,3-dioxolan-2-yl)phenoxy]-2-(trifluoromethyl)-3-pyridinyl]ethanone

C17H14F3NO4 — CID 146343608

IUPAC1-[6-[4-(1,3-dioxolan-2-yl)phenoxy]-2-(trifluoromethyl)-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccc(C3OCCO3)cc2)nc1C(F)(F)F
InChIInChI=1S/C17H14F3NO4/c1-10(22)13-6-7-14(21-15(13)17(18,19)20)25-12-4-2-11(3-5-12)16-23-8-9-24-16/h2-7,16H,8-9H2,1H3
InChIKeyOWGYJBRSHBQYEA-UHFFFAOYSA-N
MW353.30 g/mol
LogP4.14
Rot. Bonds4

About 1-[6-[4-(1,3-dioxolan-2-yl)phenoxy]-2-(trifluoromethyl)-3-pyridinyl]ethanone

1-[6-[4-(1,3-dioxolan-2-yl)phenoxy]-2-(trifluoromethyl)-3-pyridinyl]ethanone (PubChem CID 146343608) has the molecular formula C17H14F3NO4 and a molecular weight of 353.30 g/mol. Its IUPAC name is 1-[6-[4-(1,3-dioxolan-2-yl)phenoxy]-2-(trifluoromethyl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-[4-(1,3-dioxolan-2-yl)phenoxy]-2-(trifluoromethyl)-3-pyridinyl]ethanone
PubChem CID146343608
Molecular FormulaC17H14F3NO4
Molecular Weight353.30 g/mol
Exact Mass353.09
IUPAC Name1-[6-[4-(1,3-dioxolan-2-yl)phenoxy]-2-(trifluoromethyl)-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccc(C3OCCO3)cc2)nc1C(F)(F)F
InChIInChI=1S/C17H14F3NO4/c1-10(22)13-6-7-14(21-15(13)17(18,19)20)25-12-4-2-11(3-5-12)16-23-8-9-24-16/h2-7,16H,8-9H2,1H3
InChIKeyOWGYJBRSHBQYEA-UHFFFAOYSA-N
XLogP4.14
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 28875482
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CID 58834996
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CID 58835227
CID 58835227
CID 67510190
CID 67510190
CID 86597787
CID 86597787
CID 86611547
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CID 87426994
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CID 89706973
CID 89706973

Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-(1,3-dioxolan-2-yl)phenoxy]-2-(trifluoromethyl)-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-[4-(1,3-dioxolan-2-yl)phenoxy]-2-(trifluoromethyl)-3-pyridinyl]ethanone (CID 146343608) is 1-[6-[4-(1,3-dioxolan-2-yl)phenoxy]-2-(trifluoromethyl)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-[4-(1,3-dioxolan-2-yl)phenoxy]-2-(trifluoromethyl)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-[4-(1,3-dioxolan-2-yl)phenoxy]-2-(trifluoromethyl)-3-pyridinyl]ethanone is CC(=O)c1ccc(Oc2ccc(C3OCCO3)cc2)nc1C(F)(F)F.
What is the InChIKey of 1-[6-[4-(1,3-dioxolan-2-yl)phenoxy]-2-(trifluoromethyl)-3-pyridinyl]ethanone?
The InChIKey is OWGYJBRSHBQYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO4/c1-10(22)13-6-7-14(21-15(13)17(18,19)20)25-12-4-2-11(3-5-12)16-23-8-9-24-16/h2-7,16H,8-9H2,1H3.
What are the key properties of 1-[6-[4-(1,3-dioxolan-2-yl)phenoxy]-2-(trifluoromethyl)-3-pyridinyl]ethanone?
1-[6-[4-(1,3-dioxolan-2-yl)phenoxy]-2-(trifluoromethyl)-3-pyridinyl]ethanone has a molecular weight of 353.30 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-(1,3-dioxolan-2-yl)phenoxy]-2-(trifluoromethyl)-3-pyridinyl]ethanone is sourced from PubChem (CID 146343608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).