O-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]hydroxylamine

C9H10F3NO2 — CID 117315137

IUPACO-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]hydroxylamine
SMILESCOc1cc(C(F)(F)F)ccc1CON
InChIInChI=1S/C9H10F3NO2/c1-14-8-4-7(9(10,11)12)3-2-6(8)5-15-13/h2-4H,5,13H2,1H3
InChIKeySRMOXFZSVLRBGA-UHFFFAOYSA-N
MW221.18 g/mol
LogP2.10
Rot. Bonds3

About O-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]hydroxylamine

O-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]hydroxylamine (PubChem CID 117315137) has the molecular formula C9H10F3NO2 and a molecular weight of 221.18 g/mol. Its IUPAC name is O-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]hydroxylamine
PubChem CID117315137
Molecular FormulaC9H10F3NO2
Molecular Weight221.18 g/mol
Exact Mass221.07
IUPAC NameO-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]hydroxylamine
SMILESCOc1cc(C(F)(F)F)ccc1CON
InChIInChI=1S/C9H10F3NO2/c1-14-8-4-7(9(10,11)12)3-2-6(8)5-15-13/h2-4H,5,13H2,1H3
InChIKeySRMOXFZSVLRBGA-UHFFFAOYSA-N
XLogP2.10
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-dimethylpropyl)-2-methoxy-4-(trifluoromethyl)benzene
CID 130220201
4-[2-methoxy-4-(trifluoromethyl)phenyl]butanethioamide
CID 83921419
O-[[4,5-dimethoxy-2-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 117380356
2-[2-[2-methoxy-4-(trifluoromethyl)phenyl]ethyl]propane-1,3-diol
CID 83921421
5-[2-methoxy-4-(trifluoromethyl)phenyl]pentan-2-one
CID 83921366
O-[[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]methyl]hydroxylamine
CID 117359887
2-[2-[2-methoxy-4-(trifluoromethyl)phenyl]ethyl]-3-methyloxirane
CID 83921462
2-methoxy-1-[(Z)-2-methylpent-3-enyl]-4-(trifluoromethyl)benzene
CID 83921455
[2-methoxy-4-(trifluoromethyl)phenyl]phosphane
CID 151566843
2-[(2-methoxyphenyl)methoxy]-5-(trifluoromethyl)aniline
CID 19627063
O-[(2-methoxy-4,5-dimethylphenyl)methyl]hydroxylamine
CID 83482464
O-[[3-bromo-2-methoxy-5-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 117482825

Frequently Asked Questions

What is the IUPAC name of O-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]hydroxylamine?
The IUPAC name of O-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]hydroxylamine (CID 117315137) is O-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]hydroxylamine.
What is the SMILES notation for O-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]hydroxylamine?
The canonical SMILES for O-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]hydroxylamine is COc1cc(C(F)(F)F)ccc1CON.
What is the InChIKey of O-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]hydroxylamine?
The InChIKey is SRMOXFZSVLRBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2/c1-14-8-4-7(9(10,11)12)3-2-6(8)5-15-13/h2-4H,5,13H2,1H3.
What are the key properties of O-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]hydroxylamine?
O-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]hydroxylamine has a molecular weight of 221.18 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 117315137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).