N-[[3-(difluoromethoxy)-4-methoxyphenyl]methylidene]hydroxylamine

C9H9F2NO3 — CID 76872352

IUPACN-[[3-(difluoromethoxy)-4-methoxyphenyl]methylidene]hydroxylamine
SMILESCOc1ccc(C=NO)cc1OC(F)F
InChIInChI=1S/C9H9F2NO3/c1-14-7-3-2-6(5-12-13)4-8(7)15-9(10)11/h2-5,9,13H,1H3
InChIKeyRQUMDYYIWTYHBQ-UHFFFAOYSA-N
MW217.17 g/mol
LogP2.10
Rot. Bonds4

About N-[[3-(difluoromethoxy)-4-methoxyphenyl]methylidene]hydroxylamine

N-[[3-(difluoromethoxy)-4-methoxyphenyl]methylidene]hydroxylamine (PubChem CID 76872352) has the molecular formula C9H9F2NO3 and a molecular weight of 217.17 g/mol. Its IUPAC name is N-[[3-(difluoromethoxy)-4-methoxyphenyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[3-(difluoromethoxy)-4-methoxyphenyl]methylidene]hydroxylamine
PubChem CID76872352
Molecular FormulaC9H9F2NO3
Molecular Weight217.17 g/mol
Exact Mass217.06
IUPAC NameN-[[3-(difluoromethoxy)-4-methoxyphenyl]methylidene]hydroxylamine
SMILESCOc1ccc(C=NO)cc1OC(F)F
InChIInChI=1S/C9H9F2NO3/c1-14-7-3-2-6(5-12-13)4-8(7)15-9(10)11/h2-5,9,13H,1H3
InChIKeyRQUMDYYIWTYHBQ-UHFFFAOYSA-N
XLogP2.10
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.17
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]urea
CID 9017274
4-chloro-N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]aniline
CID 9015386
(NZ)-N-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methylidene]hydroxylamine
CID 95732521
N-[(3-fluoro-4-methoxyphenyl)methylidene]hydroxylamine
CID 74061800
(NZ)-N-[(3-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine
CID 6199793
N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-3-methylaniline
CID 9060532
N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-4-methylbenzamide
CID 9175187
3-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methylprop-2-enoic acid
CID 79727135
N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 9013570
2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide
CID 16545202
2-chloro-N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]aniline
CID 9069889
4-(3-chloroprop-1-enyl)-2-(difluoromethoxy)-1-methoxybenzene
CID 79334494

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methylidene]hydroxylamine?
The IUPAC name of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methylidene]hydroxylamine (CID 76872352) is N-[[3-(difluoromethoxy)-4-methoxyphenyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methylidene]hydroxylamine is COc1ccc(C=NO)cc1OC(F)F.
What is the InChIKey of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methylidene]hydroxylamine?
The InChIKey is RQUMDYYIWTYHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO3/c1-14-7-3-2-6(5-12-13)4-8(7)15-9(10)11/h2-5,9,13H,1H3.
What are the key properties of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methylidene]hydroxylamine?
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methylidene]hydroxylamine has a molecular weight of 217.17 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methylidene]hydroxylamine is sourced from PubChem (CID 76872352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).