N-[[3-(difluoromethyl)-4,5-dimethoxyphenyl]methyl]hydroxylamine

C10H13F2NO3 — CID 117337441

IUPACN-[[3-(difluoromethyl)-4,5-dimethoxyphenyl]methyl]hydroxylamine
SMILESCOc1cc(CNO)cc(C(F)F)c1OC
InChIInChI=1S/C10H13F2NO3/c1-15-8-4-6(5-13-14)3-7(10(11)12)9(8)16-2/h3-4,10,13-14H,5H2,1-2H3
InChIKeyGNCKNSFNFOGZKR-UHFFFAOYSA-N
MW233.21 g/mol
LogP2.12
Rot. Bonds5

About N-[[3-(difluoromethyl)-4,5-dimethoxyphenyl]methyl]hydroxylamine

N-[[3-(difluoromethyl)-4,5-dimethoxyphenyl]methyl]hydroxylamine (PubChem CID 117337441) has the molecular formula C10H13F2NO3 and a molecular weight of 233.21 g/mol. Its IUPAC name is N-[[3-(difluoromethyl)-4,5-dimethoxyphenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-[[3-(difluoromethyl)-4,5-dimethoxyphenyl]methyl]hydroxylamine
PubChem CID117337441
Molecular FormulaC10H13F2NO3
Molecular Weight233.21 g/mol
Exact Mass233.09
IUPAC NameN-[[3-(difluoromethyl)-4,5-dimethoxyphenyl]methyl]hydroxylamine
SMILESCOc1cc(CNO)cc(C(F)F)c1OC
InChIInChI=1S/C10H13F2NO3/c1-15-8-4-6(5-13-14)3-7(10(11)12)9(8)16-2/h3-4,10,13-14H,5H2,1-2H3
InChIKeyGNCKNSFNFOGZKR-UHFFFAOYSA-N
XLogP2.12
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 52.12
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

N-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methyl]hydroxylamine
CID 117347740
N-[[2-(difluoromethyl)-4,5-dimethoxyphenyl]methyl]hydroxylamine
CID 117337439
N-[[3-(difluoromethyl)-2-methoxy-5-methylphenyl]methyl]hydroxylamine
CID 117308984
2-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-methylpropan-1-ol
CID 117404587
1-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-(methylamino)ethanol
CID 117406783
N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 521855
N-[(3-methoxy-4-methylphenyl)methyl]hydroxylamine
CID 117276489
N-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]hydroxylamine
CID 82685518
N-[(3-chloro-5-methoxy-4-methylphenyl)methyl]hydroxylamine
CID 117290406
methyl 2-[(3,4,5-trimethoxyphenyl)methylamino]propanoate
CID 60780797
2-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-oxoacetic acid
CID 117404185
2-methyl-3-[(3,4,5-trimethoxyphenyl)methylamino]butan-2-ol
CID 62816210

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethyl)-4,5-dimethoxyphenyl]methyl]hydroxylamine?
The IUPAC name of N-[[3-(difluoromethyl)-4,5-dimethoxyphenyl]methyl]hydroxylamine (CID 117337441) is N-[[3-(difluoromethyl)-4,5-dimethoxyphenyl]methyl]hydroxylamine.
What is the SMILES notation for N-[[3-(difluoromethyl)-4,5-dimethoxyphenyl]methyl]hydroxylamine?
The canonical SMILES for N-[[3-(difluoromethyl)-4,5-dimethoxyphenyl]methyl]hydroxylamine is COc1cc(CNO)cc(C(F)F)c1OC.
What is the InChIKey of N-[[3-(difluoromethyl)-4,5-dimethoxyphenyl]methyl]hydroxylamine?
The InChIKey is GNCKNSFNFOGZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO3/c1-15-8-4-6(5-13-14)3-7(10(11)12)9(8)16-2/h3-4,10,13-14H,5H2,1-2H3.
What are the key properties of N-[[3-(difluoromethyl)-4,5-dimethoxyphenyl]methyl]hydroxylamine?
N-[[3-(difluoromethyl)-4,5-dimethoxyphenyl]methyl]hydroxylamine has a molecular weight of 233.21 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethyl)-4,5-dimethoxyphenyl]methyl]hydroxylamine is sourced from PubChem (CID 117337441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).