1-[8-amino-4-(difluoromethoxy)dibenzofuran-1-yl]ethanone

C15H11F2NO3 — CID 143212775

IUPAC1-[8-amino-4-(difluoromethoxy)dibenzofuran-1-yl]ethanone
SMILESCC(=O)c1ccc(OC(F)F)c2oc3ccc(N)cc3c12
InChIInChI=1S/C15H11F2NO3/c1-7(19)9-3-5-12(21-15(16)17)14-13(9)10-6-8(18)2-4-11(10)20-14/h2-6,15H,18H2,1H3
InChIKeyIAXXSCINQROAGC-UHFFFAOYSA-N
MW291.25 g/mol
LogP3.97
Rot. Bonds3

About 1-[8-amino-4-(difluoromethoxy)dibenzofuran-1-yl]ethanone

1-[8-amino-4-(difluoromethoxy)dibenzofuran-1-yl]ethanone (PubChem CID 143212775) has the molecular formula C15H11F2NO3 and a molecular weight of 291.25 g/mol. Its IUPAC name is 1-[8-amino-4-(difluoromethoxy)dibenzofuran-1-yl]ethanone.

Molecular Properties

Compound Name1-[8-amino-4-(difluoromethoxy)dibenzofuran-1-yl]ethanone
PubChem CID143212775
Molecular FormulaC15H11F2NO3
Molecular Weight291.25 g/mol
Exact Mass291.07
IUPAC Name1-[8-amino-4-(difluoromethoxy)dibenzofuran-1-yl]ethanone
SMILESCC(=O)c1ccc(OC(F)F)c2oc3ccc(N)cc3c12
InChIInChI=1S/C15H11F2NO3/c1-7(19)9-3-5-12(21-15(16)17)14-13(9)10-6-8(18)2-4-11(10)20-14/h2-6,15H,18H2,1H3
InChIKeyIAXXSCINQROAGC-UHFFFAOYSA-N
XLogP3.97
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

sodium 8-acetamido-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)dibenzofuran-1-carboxamide
CID 11364118
N-(3-chloro-5-methyl-4-pyridinyl)-4-(difluoromethoxy)-8-methyldibenzofuran-1-carboxamide
CID 143227101
5-amino-2-(difluoromethoxy)benzoic acid;hydrochloride
CID 50988657
1-(5-amino-2-propan-2-yloxyphenyl)ethanone
CID 70224609
8-N-(3-chloropropyl)-8-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)dibenzofuran-1,8-dicarboxamide
CID 140504441
N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-N-hydroxy-8-(methanesulfonamido)dibenzofuran-1-carboxamide
CID 91364495
N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(4-methylpiperazin-1-yl)sulfonyldibenzofuran-1-carboxamide
CID 11678716
N-(3,5-dichloro-4-pyridinyl)-6-(difluoromethoxy)-N-hydroxy-[1]benzofuro[3,2-c]pyridine-9-carboxamide
CID 123491984
1-[3-bromo-4-(difluoromethoxy)-2-fluorophenyl]ethanone
CID 171000586
1-[2-amino-3-(difluoromethoxy)-4-methylphenyl]ethanone
CID 171027157
(3S)-3-amino-3-[5-amino-2-(difluoromethoxy)phenyl]propanoic acid
CID 97035652
1-[4-amino-2-(difluoromethoxy)phenyl]-1-bromopropan-2-one
CID 131290072

Frequently Asked Questions

What is the IUPAC name of 1-[8-amino-4-(difluoromethoxy)dibenzofuran-1-yl]ethanone?
The IUPAC name of 1-[8-amino-4-(difluoromethoxy)dibenzofuran-1-yl]ethanone (CID 143212775) is 1-[8-amino-4-(difluoromethoxy)dibenzofuran-1-yl]ethanone.
What is the SMILES notation for 1-[8-amino-4-(difluoromethoxy)dibenzofuran-1-yl]ethanone?
The canonical SMILES for 1-[8-amino-4-(difluoromethoxy)dibenzofuran-1-yl]ethanone is CC(=O)c1ccc(OC(F)F)c2oc3ccc(N)cc3c12.
What is the InChIKey of 1-[8-amino-4-(difluoromethoxy)dibenzofuran-1-yl]ethanone?
The InChIKey is IAXXSCINQROAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO3/c1-7(19)9-3-5-12(21-15(16)17)14-13(9)10-6-8(18)2-4-11(10)20-14/h2-6,15H,18H2,1H3.
What are the key properties of 1-[8-amino-4-(difluoromethoxy)dibenzofuran-1-yl]ethanone?
1-[8-amino-4-(difluoromethoxy)dibenzofuran-1-yl]ethanone has a molecular weight of 291.25 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-amino-4-(difluoromethoxy)dibenzofuran-1-yl]ethanone is sourced from PubChem (CID 143212775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).