N-[(6,7-difluoro-2,3-dihydro-1-benzofuran-4-yl)methylidene]hydroxylamine

C9H7F2NO2 — CID 174857655

IUPACN-[(6,7-difluoro-2,3-dihydro-1-benzofuran-4-yl)methylidene]hydroxylamine
SMILESON=Cc1cc(F)c(F)c2c1CCO2
InChIInChI=1S/C9H7F2NO2/c10-7-3-5(4-12-13)6-1-2-14-9(6)8(7)11/h3-4,13H,1-2H2
InChIKeyXKHCDEPVOWPABK-UHFFFAOYSA-N
MW199.16 g/mol
LogP1.71
Rot. Bonds1

About N-[(6,7-difluoro-2,3-dihydro-1-benzofuran-4-yl)methylidene]hydroxylamine

N-[(6,7-difluoro-2,3-dihydro-1-benzofuran-4-yl)methylidene]hydroxylamine (PubChem CID 174857655) has the molecular formula C9H7F2NO2 and a molecular weight of 199.16 g/mol. Its IUPAC name is N-[(6,7-difluoro-2,3-dihydro-1-benzofuran-4-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(6,7-difluoro-2,3-dihydro-1-benzofuran-4-yl)methylidene]hydroxylamine
PubChem CID174857655
Molecular FormulaC9H7F2NO2
Molecular Weight199.16 g/mol
Exact Mass199.04
IUPAC NameN-[(6,7-difluoro-2,3-dihydro-1-benzofuran-4-yl)methylidene]hydroxylamine
SMILESON=Cc1cc(F)c(F)c2c1CCO2
InChIInChI=1S/C9H7F2NO2/c10-7-3-5(4-12-13)6-1-2-14-9(6)8(7)11/h3-4,13H,1-2H2
InChIKeyXKHCDEPVOWPABK-UHFFFAOYSA-N
XLogP1.71
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 6898163
CID 6898163
CID 9584383
CID 9584383
CID 808278
CID 808278
CID 6898166
CID 6898166
CID 6898202
CID 6898202
CID 9642646
CID 9642646
CID 59083985
CID 59083985
CID 59336367
CID 59336367
CID 59726910
CID 59726910
CID 59888154
CID 59888154
CID 72258117
CID 72258117
CID 72368497
CID 72368497

Frequently Asked Questions

What is the IUPAC name of N-[(6,7-difluoro-2,3-dihydro-1-benzofuran-4-yl)methylidene]hydroxylamine?
The IUPAC name of N-[(6,7-difluoro-2,3-dihydro-1-benzofuran-4-yl)methylidene]hydroxylamine (CID 174857655) is N-[(6,7-difluoro-2,3-dihydro-1-benzofuran-4-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(6,7-difluoro-2,3-dihydro-1-benzofuran-4-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[(6,7-difluoro-2,3-dihydro-1-benzofuran-4-yl)methylidene]hydroxylamine is ON=Cc1cc(F)c(F)c2c1CCO2.
What is the InChIKey of N-[(6,7-difluoro-2,3-dihydro-1-benzofuran-4-yl)methylidene]hydroxylamine?
The InChIKey is XKHCDEPVOWPABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2NO2/c10-7-3-5(4-12-13)6-1-2-14-9(6)8(7)11/h3-4,13H,1-2H2.
What are the key properties of N-[(6,7-difluoro-2,3-dihydro-1-benzofuran-4-yl)methylidene]hydroxylamine?
N-[(6,7-difluoro-2,3-dihydro-1-benzofuran-4-yl)methylidene]hydroxylamine has a molecular weight of 199.16 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6,7-difluoro-2,3-dihydro-1-benzofuran-4-yl)methylidene]hydroxylamine is sourced from PubChem (CID 174857655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).