O-[[3-(1,1-difluoroethyl)-2-methoxy-6-methylphenyl]methyl]hydroxylamine

C11H15F2NO2 — CID 117333821

IUPACO-[[3-(1,1-difluoroethyl)-2-methoxy-6-methylphenyl]methyl]hydroxylamine
SMILESCOc1c(C(C)(F)F)ccc(C)c1CON
InChIInChI=1S/C11H15F2NO2/c1-7-4-5-9(11(2,12)13)10(15-3)8(7)6-16-14/h4-5H,6,14H2,1-3H3
InChIKeyHJUUQLMXOZNWIC-UHFFFAOYSA-N
MW231.24 g/mol
LogP2.51
Rot. Bonds4

About O-[[3-(1,1-difluoroethyl)-2-methoxy-6-methylphenyl]methyl]hydroxylamine

O-[[3-(1,1-difluoroethyl)-2-methoxy-6-methylphenyl]methyl]hydroxylamine (PubChem CID 117333821) has the molecular formula C11H15F2NO2 and a molecular weight of 231.24 g/mol. Its IUPAC name is O-[[3-(1,1-difluoroethyl)-2-methoxy-6-methylphenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[3-(1,1-difluoroethyl)-2-methoxy-6-methylphenyl]methyl]hydroxylamine
PubChem CID117333821
Molecular FormulaC11H15F2NO2
Molecular Weight231.24 g/mol
Exact Mass231.11
IUPAC NameO-[[3-(1,1-difluoroethyl)-2-methoxy-6-methylphenyl]methyl]hydroxylamine
SMILESCOc1c(C(C)(F)F)ccc(C)c1CON
InChIInChI=1S/C11H15F2NO2/c1-7-4-5-9(11(2,12)13)10(15-3)8(7)6-16-14/h4-5H,6,14H2,1-3H3
InChIKeyHJUUQLMXOZNWIC-UHFFFAOYSA-N
XLogP2.51
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 52.51
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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Frequently Asked Questions

What is the IUPAC name of O-[[3-(1,1-difluoroethyl)-2-methoxy-6-methylphenyl]methyl]hydroxylamine?
The IUPAC name of O-[[3-(1,1-difluoroethyl)-2-methoxy-6-methylphenyl]methyl]hydroxylamine (CID 117333821) is O-[[3-(1,1-difluoroethyl)-2-methoxy-6-methylphenyl]methyl]hydroxylamine.
What is the SMILES notation for O-[[3-(1,1-difluoroethyl)-2-methoxy-6-methylphenyl]methyl]hydroxylamine?
The canonical SMILES for O-[[3-(1,1-difluoroethyl)-2-methoxy-6-methylphenyl]methyl]hydroxylamine is COc1c(C(C)(F)F)ccc(C)c1CON.
What is the InChIKey of O-[[3-(1,1-difluoroethyl)-2-methoxy-6-methylphenyl]methyl]hydroxylamine?
The InChIKey is HJUUQLMXOZNWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO2/c1-7-4-5-9(11(2,12)13)10(15-3)8(7)6-16-14/h4-5H,6,14H2,1-3H3.
What are the key properties of O-[[3-(1,1-difluoroethyl)-2-methoxy-6-methylphenyl]methyl]hydroxylamine?
O-[[3-(1,1-difluoroethyl)-2-methoxy-6-methylphenyl]methyl]hydroxylamine has a molecular weight of 231.24 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[3-(1,1-difluoroethyl)-2-methoxy-6-methylphenyl]methyl]hydroxylamine is sourced from PubChem (CID 117333821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).