N-[[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]methyl]hydroxylamine

C11H15F2NO3 — CID 117369713

IUPACN-[[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]methyl]hydroxylamine
SMILESCOc1cc(CNO)c(C(C)(F)F)cc1OC
InChIInChI=1S/C11H15F2NO3/c1-11(12,13)8-5-10(17-3)9(16-2)4-7(8)6-14-15/h4-5,14-15H,6H2,1-3H3
InChIKeyHDXGJVGKDVEFON-UHFFFAOYSA-N
MW247.24 g/mol
LogP2.29
Rot. Bonds5

About N-[[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]methyl]hydroxylamine

N-[[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]methyl]hydroxylamine (PubChem CID 117369713) has the molecular formula C11H15F2NO3 and a molecular weight of 247.24 g/mol. Its IUPAC name is N-[[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-[[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]methyl]hydroxylamine
PubChem CID117369713
Molecular FormulaC11H15F2NO3
Molecular Weight247.24 g/mol
Exact Mass247.10
IUPAC NameN-[[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]methyl]hydroxylamine
SMILESCOc1cc(CNO)c(C(C)(F)F)cc1OC
InChIInChI=1S/C11H15F2NO3/c1-11(12,13)8-5-10(17-3)9(16-2)4-7(8)6-14-15/h4-5,14-15H,6H2,1-3H3
InChIKeyHDXGJVGKDVEFON-UHFFFAOYSA-N
XLogP2.29
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]methanol
CID 84695385
N-[[5-chloro-4-methoxy-2-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 117391970
N-[[2-(difluoromethyl)-4,5-dimethoxyphenyl]methyl]hydroxylamine
CID 117337439
N-[[2-(1,1-difluoroethyl)-5-methylphenyl]methyl]hydroxylamine
CID 117289946
N-[(4,5-dimethoxy-2-methylsulfonylphenyl)methyl]hydroxylamine
CID 117407160
N-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 117315144
1-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]-2-(methylamino)ethanone
CID 117435412
N-[(5-fluoro-2-methoxy-4-methylphenyl)methyl]hydroxylamine
CID 117280159
5-bromo-4-[(hydroxyamino)methyl]-2-methoxyphenol
CID 117372651
N-[(5-fluoro-2-methoxy-3-methylphenyl)methyl]hydroxylamine
CID 117280060
N-[(4-bromo-5-methoxy-2-methylphenyl)methyl]hydroxylamine
CID 84803061
N-[(5-methoxy-4-methyl-2-methylsulfonylphenyl)methyl]hydroxylamine
CID 117365232

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]methyl]hydroxylamine?
The IUPAC name of N-[[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]methyl]hydroxylamine (CID 117369713) is N-[[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]methyl]hydroxylamine.
What is the SMILES notation for N-[[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]methyl]hydroxylamine?
The canonical SMILES for N-[[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]methyl]hydroxylamine is COc1cc(CNO)c(C(C)(F)F)cc1OC.
What is the InChIKey of N-[[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]methyl]hydroxylamine?
The InChIKey is HDXGJVGKDVEFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO3/c1-11(12,13)8-5-10(17-3)9(16-2)4-7(8)6-14-15/h4-5,14-15H,6H2,1-3H3.
What are the key properties of N-[[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]methyl]hydroxylamine?
N-[[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]methyl]hydroxylamine has a molecular weight of 247.24 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]methyl]hydroxylamine is sourced from PubChem (CID 117369713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).