(3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone

C20H15F4NO2 — CID 58759651

IUPAC(3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone
SMILESNc1c(C(=O)c2cccc(C(F)(F)F)c2F)oc2cc3c(cc12)CCCC3
InChIInChI=1S/C20H15F4NO2/c21-16-12(6-3-7-14(16)20(22,23)24)18(26)19-17(25)13-8-10-4-1-2-5-11(10)9-15(13)27-19/h3,6-9H,1-2,4-5,25H2
InChIKeyDXYPZKNDGPWTMB-UHFFFAOYSA-N
MW377.34 g/mol
LogP5.28
Rot. Bonds2

About (3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone

(3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone (PubChem CID 58759651) has the molecular formula C20H15F4NO2 and a molecular weight of 377.34 g/mol. Its IUPAC name is (3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone
PubChem CID58759651
Molecular FormulaC20H15F4NO2
Molecular Weight377.34 g/mol
Exact Mass377.10
IUPAC Name(3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone
SMILESNc1c(C(=O)c2cccc(C(F)(F)F)c2F)oc2cc3c(cc12)CCCC3
InChIInChI=1S/C20H15F4NO2/c21-16-12(6-3-7-14(16)20(22,23)24)18(26)19-17(25)13-8-10-4-1-2-5-11(10)9-15(13)27-19/h3,6-9H,1-2,4-5,25H2
InChIKeyDXYPZKNDGPWTMB-UHFFFAOYSA-N
XLogP5.28
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.34
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone with MolForge

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Related Compounds

(3-Amino-1-benzofuran-2-YL)(4-methoxyphenyl)methanone
CID 693230
(3-Amino-1-benzofuran-2-yl)(4-methylphenyl)methanone
CID 619566
(3-Amino-1-benzofuran-2-yl)(4-fluorophenyl)methanone
CID 620323
(3-Amino-1-benzofuran-2-yl)(phenyl)methanone
CID 854225
7,8-dimethyl-4-oxo-N-[2-(phenylcarbonyl)-1-benzofuran-3-yl]-4H-chromene-2-carboxamide
CID 16013516
(3-Amino-5-methoxybenzofuran-2-yl)(4-fluorophenyl)methanone
CID 685511
N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-7,8-dimethyl-4-oxo-4H-chromene-2-carboxamide
CID 16013518
(3-Amino-7-meo-1-benzofuran-2-YL)(2',4'-difluoro(1,1'-biphenyl)-4-YL)methanone
CID 10499923
(3-Amino-1-benzofuran-2-YL)((1,1'-biphenyl)-4-YL)methanone
CID 10710305
(3-Amino-1-benzofuran-2-YL)(2',4'-difluoro(1,1'-biphenyl)-4-YL)methanone
CID 10831629
(3-Amino-1-benzofuran-2-YL)(4-hydroxyphenyl)methanone
CID 10848471
4-fluoro-N-(2-phenylbenzo[e][1]benzofuran-1-yl)benzenesulfonamide
CID 139189649

Frequently Asked Questions

What is the IUPAC name of (3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone (CID 58759651) is (3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone is Nc1c(C(=O)c2cccc(C(F)(F)F)c2F)oc2cc3c(cc12)CCCC3.
What is the InChIKey of (3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone?
The InChIKey is DXYPZKNDGPWTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4NO2/c21-16-12(6-3-7-14(16)20(22,23)24)18(26)19-17(25)13-8-10-4-1-2-5-11(10)9-15(13)27-19/h3,6-9H,1-2,4-5,25H2.
What are the key properties of (3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone?
(3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone has a molecular weight of 377.34 g/mol, XLogP of 5.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 58759651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).