O-[[4,5-dimethoxy-2-(trifluoromethyl)phenyl]methyl]hydroxylamine

C10H12F3NO3 — CID 117380356

IUPACO-[[4,5-dimethoxy-2-(trifluoromethyl)phenyl]methyl]hydroxylamine
SMILESCOc1cc(CON)c(C(F)(F)F)cc1OC
InChIInChI=1S/C10H12F3NO3/c1-15-8-3-6(5-17-14)7(10(11,12)13)4-9(8)16-2/h3-4H,5,14H2,1-2H3
InChIKeyMSFOKHZLXVMWQB-UHFFFAOYSA-N
MW251.20 g/mol
LogP2.11
Rot. Bonds4

About O-[[4,5-dimethoxy-2-(trifluoromethyl)phenyl]methyl]hydroxylamine

O-[[4,5-dimethoxy-2-(trifluoromethyl)phenyl]methyl]hydroxylamine (PubChem CID 117380356) has the molecular formula C10H12F3NO3 and a molecular weight of 251.20 g/mol. Its IUPAC name is O-[[4,5-dimethoxy-2-(trifluoromethyl)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[4,5-dimethoxy-2-(trifluoromethyl)phenyl]methyl]hydroxylamine
PubChem CID117380356
Molecular FormulaC10H12F3NO3
Molecular Weight251.20 g/mol
Exact Mass251.08
IUPAC NameO-[[4,5-dimethoxy-2-(trifluoromethyl)phenyl]methyl]hydroxylamine
SMILESCOc1cc(CON)c(C(F)(F)F)cc1OC
InChIInChI=1S/C10H12F3NO3/c1-15-8-3-6(5-17-14)7(10(11,12)13)4-9(8)16-2/h3-4H,5,14H2,1-2H3
InChIKeyMSFOKHZLXVMWQB-UHFFFAOYSA-N
XLogP2.11
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.20
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

O-[[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]methyl]hydroxylamine
CID 117359887
2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]propan-2-amine
CID 117412105
O-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 117315137
N-[2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]ethyl]formamide
CID 162579355
1-[[4,5-dimethoxy-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 117489558
O-[(2-methoxy-4,5-dimethylphenyl)methyl]hydroxylamine
CID 83482464
1-chloro-5-(chloromethyl)-2-methoxy-4-(trifluoromethyl)benzene
CID 171007479
[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]methanol
CID 84695385
2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-2-methylpropan-1-ol
CID 117445820
4-(2-aminooxyethyl)-2-methoxy-6-(trifluoromethyl)phenol
CID 117380355
O-[[2-(1,1-difluoroethyl)-3-methoxyphenyl]methyl]hydroxylamine
CID 117308978
O-[[2-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride
CID 18525982

Frequently Asked Questions

What is the IUPAC name of O-[[4,5-dimethoxy-2-(trifluoromethyl)phenyl]methyl]hydroxylamine?
The IUPAC name of O-[[4,5-dimethoxy-2-(trifluoromethyl)phenyl]methyl]hydroxylamine (CID 117380356) is O-[[4,5-dimethoxy-2-(trifluoromethyl)phenyl]methyl]hydroxylamine.
What is the SMILES notation for O-[[4,5-dimethoxy-2-(trifluoromethyl)phenyl]methyl]hydroxylamine?
The canonical SMILES for O-[[4,5-dimethoxy-2-(trifluoromethyl)phenyl]methyl]hydroxylamine is COc1cc(CON)c(C(F)(F)F)cc1OC.
What is the InChIKey of O-[[4,5-dimethoxy-2-(trifluoromethyl)phenyl]methyl]hydroxylamine?
The InChIKey is MSFOKHZLXVMWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO3/c1-15-8-3-6(5-17-14)7(10(11,12)13)4-9(8)16-2/h3-4H,5,14H2,1-2H3.
What are the key properties of O-[[4,5-dimethoxy-2-(trifluoromethyl)phenyl]methyl]hydroxylamine?
O-[[4,5-dimethoxy-2-(trifluoromethyl)phenyl]methyl]hydroxylamine has a molecular weight of 251.20 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[4,5-dimethoxy-2-(trifluoromethyl)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 117380356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).