[4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]-[4-fluoro-2-(trifluoromethyl)phenyl]methanone

C20H18F4N2O2 — CID 171513481

IUPAC[4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]-[4-fluoro-2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(F)cc1C(F)(F)F)N1CCN(c2cccc3c2OCC3)CC1
InChIInChI=1S/C20H18F4N2O2/c21-14-4-5-15(16(12-14)20(22,23)24)19(27)26-9-7-25(8-10-26)17-3-1-2-13-6-11-28-18(13)17/h1-5,12H,6-11H2
InChIKeyMFIPRSCVEAYPNC-UHFFFAOYSA-N
MW394.37 g/mol
LogP3.74
Rot. Bonds2

About [4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]-[4-fluoro-2-(trifluoromethyl)phenyl]methanone

[4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]-[4-fluoro-2-(trifluoromethyl)phenyl]methanone (PubChem CID 171513481) has the molecular formula C20H18F4N2O2 and a molecular weight of 394.37 g/mol. Its IUPAC name is [4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]-[4-fluoro-2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]-[4-fluoro-2-(trifluoromethyl)phenyl]methanone
PubChem CID171513481
Molecular FormulaC20H18F4N2O2
Molecular Weight394.37 g/mol
Exact Mass394.13
IUPAC Name[4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]-[4-fluoro-2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(F)cc1C(F)(F)F)N1CCN(c2cccc3c2OCC3)CC1
InChIInChI=1S/C20H18F4N2O2/c21-14-4-5-15(16(12-14)20(22,23)24)19(27)26-9-7-25(8-10-26)17-3-1-2-13-6-11-28-18(13)17/h1-5,12H,6-11H2
InChIKeyMFIPRSCVEAYPNC-UHFFFAOYSA-N
XLogP3.74
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.37
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxyphenyl]piperazin-1-yl]-[4-fluoro-2-(trifluoromethyl)phenyl]methanone
CID 46088367
2,3-dihydro-1-benzofuran-7-yl(piperazin-1-yl)methanone
CID 83895167
[5-fluoro-2-(trifluoromethyl)phenyl]-[4-(1,2,4-triazin-3-yl)piperazin-1-yl]methanone
CID 53493507
(2,5-difluorophenyl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 78802706
2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-6-fluorobenzonitrile
CID 33284080
4-Fluoro-2-(trifluoromethyl)benzoic acid, sodium salt
CID 178187701
[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 37211741
N-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-fluoro-2-(trifluoromethyl)benzamide
CID 86779974
[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-[4-fluoro-2-(trifluoromethyl)phenyl]methanone
CID 66549068
[4-fluoro-2-(trifluoromethyl)phenyl]-[4-[7-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl]methanone
CID 46092824
(2-bromo-4-fluorophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 9033985
[4-fluoro-2-(trifluoromethyl)phenyl]-[4-[2-methoxy-5-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]piperazin-1-yl]methanone
CID 98151472

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]-[4-fluoro-2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]-[4-fluoro-2-(trifluoromethyl)phenyl]methanone (CID 171513481) is [4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]-[4-fluoro-2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]-[4-fluoro-2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]-[4-fluoro-2-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(F)cc1C(F)(F)F)N1CCN(c2cccc3c2OCC3)CC1.
What is the InChIKey of [4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]-[4-fluoro-2-(trifluoromethyl)phenyl]methanone?
The InChIKey is MFIPRSCVEAYPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F4N2O2/c21-14-4-5-15(16(12-14)20(22,23)24)19(27)26-9-7-25(8-10-26)17-3-1-2-13-6-11-28-18(13)17/h1-5,12H,6-11H2.
What are the key properties of [4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]-[4-fluoro-2-(trifluoromethyl)phenyl]methanone?
[4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]-[4-fluoro-2-(trifluoromethyl)phenyl]methanone has a molecular weight of 394.37 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]-[4-fluoro-2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 171513481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).