O-[[2-(1,1-difluoroethyl)-3-methoxyphenyl]methyl]hydroxylamine

C10H13F2NO2 — CID 117308978

IUPACO-[[2-(1,1-difluoroethyl)-3-methoxyphenyl]methyl]hydroxylamine
SMILESCOc1cccc(CON)c1C(C)(F)F
InChIInChI=1S/C10H13F2NO2/c1-10(11,12)9-7(6-15-13)4-3-5-8(9)14-2/h3-5H,6,13H2,1-2H3
InChIKeySXKCAJKTAKMHKK-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.20
Rot. Bonds4

About O-[[2-(1,1-difluoroethyl)-3-methoxyphenyl]methyl]hydroxylamine

O-[[2-(1,1-difluoroethyl)-3-methoxyphenyl]methyl]hydroxylamine (PubChem CID 117308978) has the molecular formula C10H13F2NO2 and a molecular weight of 217.22 g/mol. Its IUPAC name is O-[[2-(1,1-difluoroethyl)-3-methoxyphenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[2-(1,1-difluoroethyl)-3-methoxyphenyl]methyl]hydroxylamine
PubChem CID117308978
Molecular FormulaC10H13F2NO2
Molecular Weight217.22 g/mol
Exact Mass217.09
IUPAC NameO-[[2-(1,1-difluoroethyl)-3-methoxyphenyl]methyl]hydroxylamine
SMILESCOc1cccc(CON)c1C(C)(F)F
InChIInChI=1S/C10H13F2NO2/c1-10(11,12)9-7(6-15-13)4-3-5-8(9)14-2/h3-5H,6,13H2,1-2H3
InChIKeySXKCAJKTAKMHKK-UHFFFAOYSA-N
XLogP2.20
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.20
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

2-[2-(1,1-difluoroethyl)-3-methoxyphenyl]acetic acid
CID 84693330
2-[2-(1,1-difluoroethyl)-3-methoxyphenyl]-N-methylethanamine
CID 117330502
2-(1,1-difluoroethyl)-3-methoxyphenol
CID 84661311
2-[2-(1,1-difluoroethyl)-3-methoxyphenyl]propan-1-amine
CID 117330427
O-[[2-(2-methoxyphenyl)phenyl]methyl]hydroxylamine
CID 67132008
2-amino-1-[2-(1,1-difluoroethyl)-3-methoxyphenyl]ethanone
CID 84692542
3-amino-1-[2-(1,1-difluoroethyl)-3-methoxyphenyl]propan-1-one
CID 117359478
O-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 117315137
O-[[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]methyl]hydroxylamine
CID 117359887
1-[2-(fluoromethyl)-6-methoxyphenyl]-2-methylpropan-2-amine
CID 117302010
2-[3-methoxy-2-(trifluoromethyl)phenyl]acetonitrile
CID 131869127
3-(2,6-dimethoxyphenyl)-3-methylbutan-1-amine
CID 116811364

Frequently Asked Questions

What is the IUPAC name of O-[[2-(1,1-difluoroethyl)-3-methoxyphenyl]methyl]hydroxylamine?
The IUPAC name of O-[[2-(1,1-difluoroethyl)-3-methoxyphenyl]methyl]hydroxylamine (CID 117308978) is O-[[2-(1,1-difluoroethyl)-3-methoxyphenyl]methyl]hydroxylamine.
What is the SMILES notation for O-[[2-(1,1-difluoroethyl)-3-methoxyphenyl]methyl]hydroxylamine?
The canonical SMILES for O-[[2-(1,1-difluoroethyl)-3-methoxyphenyl]methyl]hydroxylamine is COc1cccc(CON)c1C(C)(F)F.
What is the InChIKey of O-[[2-(1,1-difluoroethyl)-3-methoxyphenyl]methyl]hydroxylamine?
The InChIKey is SXKCAJKTAKMHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO2/c1-10(11,12)9-7(6-15-13)4-3-5-8(9)14-2/h3-5H,6,13H2,1-2H3.
What are the key properties of O-[[2-(1,1-difluoroethyl)-3-methoxyphenyl]methyl]hydroxylamine?
O-[[2-(1,1-difluoroethyl)-3-methoxyphenyl]methyl]hydroxylamine has a molecular weight of 217.22 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[2-(1,1-difluoroethyl)-3-methoxyphenyl]methyl]hydroxylamine is sourced from PubChem (CID 117308978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).