1-(2,3-dihydro-1-benzofuran-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]propan-2-one

C17H14F3NO2 — CID 69046080

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]propan-2-one
SMILESCC(=O)C(c1ccc(C(F)(F)F)nc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H14F3NO2/c1-10(22)16(12-2-4-14-11(8-12)6-7-23-14)13-3-5-15(21-9-13)17(18,19)20/h2-5,8-9,16H,6-7H2,1H3
InChIKeySRGDLUKQAVWSRZ-UHFFFAOYSA-N
MW321.30 g/mol
LogP3.76
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]propan-2-one

1-(2,3-dihydro-1-benzofuran-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]propan-2-one (PubChem CID 69046080) has the molecular formula C17H14F3NO2 and a molecular weight of 321.30 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]propan-2-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]propan-2-one
PubChem CID69046080
Molecular FormulaC17H14F3NO2
Molecular Weight321.30 g/mol
Exact Mass321.10
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]propan-2-one
SMILESCC(=O)C(c1ccc(C(F)(F)F)nc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H14F3NO2/c1-10(22)16(12-2-4-14-11(8-12)6-7-23-14)13-3-5-15(21-9-13)17(18,19)20/h2-5,8-9,16H,6-7H2,1H3
InChIKeySRGDLUKQAVWSRZ-UHFFFAOYSA-N
XLogP3.76
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1-benzofuran-5-yl-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105180243
2-acetyloxy-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 23335826
ethyl 2-acetyloxy-2-(2,3-dihydro-1-benzofuran-5-yl)acetate
CID 54458812
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethanesulfonyl chloride
CID 114827537
3-(2,3-dihydro-1-benzofuran-5-yl)-3-(dimethylamino)-2-methylpropanoic acid
CID 116908097
5-(trifluoromethyl)-2,3-dihydro-1-benzofuran
CID 83397414
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethanamine
CID 43198478
2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyacetamide
CID 62225836
(2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 93297974
(2S)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 66510589
(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethanamine;hydrochloride
CID 171240485
N-[(1S)-1-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)phenyl]ethyl]-2,2,2-trifluoroacetamide
CID 58862147

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]propan-2-one?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]propan-2-one (CID 69046080) is 1-(2,3-dihydro-1-benzofuran-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]propan-2-one.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]propan-2-one?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]propan-2-one is CC(=O)C(c1ccc(C(F)(F)F)nc1)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]propan-2-one?
The InChIKey is SRGDLUKQAVWSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO2/c1-10(22)16(12-2-4-14-11(8-12)6-7-23-14)13-3-5-15(21-9-13)17(18,19)20/h2-5,8-9,16H,6-7H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]propan-2-one?
1-(2,3-dihydro-1-benzofuran-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]propan-2-one has a molecular weight of 321.30 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]propan-2-one is sourced from PubChem (CID 69046080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).