(NE)-N-[[2-(difluoromethoxy)-5-fluorophenyl]methylidene]hydroxylamine

C8H6F3NO2 — CID 122163966

IUPAC(NE)-N-[[2-(difluoromethoxy)-5-fluorophenyl]methylidene]hydroxylamine
SMILESO/N=C/c1cc(F)ccc1OC(F)F
InChIInChI=1S/C8H6F3NO2/c9-6-1-2-7(14-8(10)11)5(3-6)4-12-13/h1-4,8,13H/b12-4+
InChIKeyJZRKCDCQDLHNCI-UUILKARUSA-N
MW205.14 g/mol
LogP2.24
Rot. Bonds3

About (NE)-N-[[2-(difluoromethoxy)-5-fluorophenyl]methylidene]hydroxylamine

(NE)-N-[[2-(difluoromethoxy)-5-fluorophenyl]methylidene]hydroxylamine (PubChem CID 122163966) has the molecular formula C8H6F3NO2 and a molecular weight of 205.14 g/mol. Its IUPAC name is (NE)-N-[[2-(difluoromethoxy)-5-fluorophenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[2-(difluoromethoxy)-5-fluorophenyl]methylidene]hydroxylamine
PubChem CID122163966
Molecular FormulaC8H6F3NO2
Molecular Weight205.14 g/mol
Exact Mass205.04
IUPAC Name(NE)-N-[[2-(difluoromethoxy)-5-fluorophenyl]methylidene]hydroxylamine
SMILESO/N=C/c1cc(F)ccc1OC(F)F
InChIInChI=1S/C8H6F3NO2/c9-6-1-2-7(14-8(10)11)5(3-6)4-12-13/h1-4,8,13H/b12-4+
InChIKeyJZRKCDCQDLHNCI-UUILKARUSA-N
XLogP2.24
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.14
LogP ≤ 52.24
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

[[2-(difluoromethoxy)-5-fluorophenyl]methylideneamino]urea
CID 168534079
(E)-3-[2-(difluoromethoxy)-5-fluorophenyl]prop-2-enoic acid
CID 103693996
1-[2-(difluoromethoxy)-4-fluorophenyl]-N-methylmethanimine
CID 162605001
1-(difluoromethoxy)-2,4-difluorobenzene
CID 18344090
N-[(2,4-difluorophenyl)methylidene]hydroxylamine
CID 53395027
(NE)-N-[(2,4-difluorophenyl)methylidene]hydroxylamine
CID 15057456
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methylidene]hydroxylamine
CID 76872352
2-[[2-(difluoromethoxy)-5-fluorophenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574571
1-(difluoromethoxy)-4-fluoro-2-methylbenzene
CID 46311597
[2-(difluoromethoxy)-5-fluorophenyl]boronic acid
CID 43145368
1-chloro-1-[2-(difluoromethoxy)-5-fluorophenyl]propan-2-one
CID 131320774
1-[2-(difluoromethoxy)-5-fluorophenyl]propan-2-one
CID 118813115

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[2-(difluoromethoxy)-5-fluorophenyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[2-(difluoromethoxy)-5-fluorophenyl]methylidene]hydroxylamine (CID 122163966) is (NE)-N-[[2-(difluoromethoxy)-5-fluorophenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[2-(difluoromethoxy)-5-fluorophenyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[2-(difluoromethoxy)-5-fluorophenyl]methylidene]hydroxylamine is O/N=C/c1cc(F)ccc1OC(F)F.
What is the InChIKey of (NE)-N-[[2-(difluoromethoxy)-5-fluorophenyl]methylidene]hydroxylamine?
The InChIKey is JZRKCDCQDLHNCI-UUILKARUSA-N. The full InChI is InChI=1S/C8H6F3NO2/c9-6-1-2-7(14-8(10)11)5(3-6)4-12-13/h1-4,8,13H/b12-4+.
What are the key properties of (NE)-N-[[2-(difluoromethoxy)-5-fluorophenyl]methylidene]hydroxylamine?
(NE)-N-[[2-(difluoromethoxy)-5-fluorophenyl]methylidene]hydroxylamine has a molecular weight of 205.14 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[2-(difluoromethoxy)-5-fluorophenyl]methylidene]hydroxylamine is sourced from PubChem (CID 122163966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).