(NE)-N-[[2-fluoro-6-(trifluoromethyl)phenyl]methylidene]hydroxylamine

C8H5F4NO — CID 22319291

IUPAC(NE)-N-[[2-fluoro-6-(trifluoromethyl)phenyl]methylidene]hydroxylamine
SMILESO/N=C/c1c(F)cccc1C(F)(F)F
InChIInChI=1S/C8H5F4NO/c9-7-3-1-2-6(8(10,11)12)5(7)4-13-14/h1-4,14H/b13-4+
InChIKeyHYWUKARWGVUZQW-YIXHJXPBSA-N
MW207.13 g/mol
LogP2.65
Rot. Bonds1

About (NE)-N-[[2-fluoro-6-(trifluoromethyl)phenyl]methylidene]hydroxylamine

(NE)-N-[[2-fluoro-6-(trifluoromethyl)phenyl]methylidene]hydroxylamine (PubChem CID 22319291) has the molecular formula C8H5F4NO and a molecular weight of 207.13 g/mol. Its IUPAC name is (NE)-N-[[2-fluoro-6-(trifluoromethyl)phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[2-fluoro-6-(trifluoromethyl)phenyl]methylidene]hydroxylamine
PubChem CID22319291
Molecular FormulaC8H5F4NO
Molecular Weight207.13 g/mol
Exact Mass207.03
IUPAC Name(NE)-N-[[2-fluoro-6-(trifluoromethyl)phenyl]methylidene]hydroxylamine
SMILESO/N=C/c1c(F)cccc1C(F)(F)F
InChIInChI=1S/C8H5F4NO/c9-7-3-1-2-6(8(10,11)12)5(7)4-13-14/h1-4,14H/b13-4+
InChIKeyHYWUKARWGVUZQW-YIXHJXPBSA-N
XLogP2.65
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.13
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-fluoro-6-(trifluoromethyl)phenyl]methylideneamino]thiourea
CID 168534170
2-[2-fluoro-6-(trifluoromethyl)phenyl]ethenamine
CID 77481750
1-fluoro-2-nitroso-3-(trifluoromethyl)benzene
CID 89289121
(NZ)-N-[[2,3-dimethyl-6-(trifluoromethyl)phenyl]methylidene]hydroxylamine;molecular fluorine
CID 54485278
2-fluoro-N'-hydroxy-6-(trifluoromethyl)benzenecarboximidamide
CID 15452050
1-[(Z)-(2,6-difluorophenyl)methylideneamino]-3-[2-(trifluoromethyl)phenyl]thiourea
CID 7934459
1-fluoro-2-(trifluoromethyl)benzene;hydrochloride
CID 174766885
ethyl 3-[2-fluoro-6-(trifluoromethyl)phenyl]prop-2-enoate
CID 91155486
CID 69226515
CID 69226515
5-[[2-fluoro-6-(trifluoromethyl)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168599798
(E)-3-[2-fluoro-6-(trifluoromethyl)phenyl]-2-methylprop-2-enoic acid;guanidine;hydrochloride
CID 70265356
dipotassium;1-fluoro-2-(trifluoromethyl)benzene;oxygen(2-)
CID 172725076

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[2-fluoro-6-(trifluoromethyl)phenyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[2-fluoro-6-(trifluoromethyl)phenyl]methylidene]hydroxylamine (CID 22319291) is (NE)-N-[[2-fluoro-6-(trifluoromethyl)phenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[2-fluoro-6-(trifluoromethyl)phenyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[2-fluoro-6-(trifluoromethyl)phenyl]methylidene]hydroxylamine is O/N=C/c1c(F)cccc1C(F)(F)F.
What is the InChIKey of (NE)-N-[[2-fluoro-6-(trifluoromethyl)phenyl]methylidene]hydroxylamine?
The InChIKey is HYWUKARWGVUZQW-YIXHJXPBSA-N. The full InChI is InChI=1S/C8H5F4NO/c9-7-3-1-2-6(8(10,11)12)5(7)4-13-14/h1-4,14H/b13-4+.
What are the key properties of (NE)-N-[[2-fluoro-6-(trifluoromethyl)phenyl]methylidene]hydroxylamine?
(NE)-N-[[2-fluoro-6-(trifluoromethyl)phenyl]methylidene]hydroxylamine has a molecular weight of 207.13 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[2-fluoro-6-(trifluoromethyl)phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 22319291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).