O-[2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethyl]hydroxylamine

C11H15F2NO2 — CID 117333808

IUPACO-[2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethyl]hydroxylamine
SMILESCOc1ccc(CCON)cc1C(C)(F)F
InChIInChI=1S/C11H15F2NO2/c1-11(12,13)9-7-8(5-6-16-14)3-4-10(9)15-2/h3-4,7H,5-6,14H2,1-2H3
InChIKeyGZSXOEKIIDSDCZ-UHFFFAOYSA-N
MW231.24 g/mol
LogP2.24
Rot. Bonds5

About O-[2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethyl]hydroxylamine

O-[2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethyl]hydroxylamine (PubChem CID 117333808) has the molecular formula C11H15F2NO2 and a molecular weight of 231.24 g/mol. Its IUPAC name is O-[2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethyl]hydroxylamine
PubChem CID117333808
Molecular FormulaC11H15F2NO2
Molecular Weight231.24 g/mol
Exact Mass231.11
IUPAC NameO-[2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethyl]hydroxylamine
SMILESCOc1ccc(CCON)cc1C(C)(F)F
InChIInChI=1S/C11H15F2NO2/c1-11(12,13)9-7-8(5-6-16-14)3-4-10(9)15-2/h3-4,7H,5-6,14H2,1-2H3
InChIKeyGZSXOEKIIDSDCZ-UHFFFAOYSA-N
XLogP2.24
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 52.24
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-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethanamine
CID 84681003
O-[2-(4-methoxy-3-methylsulfonylphenyl)ethyl]hydroxylamine
CID 117365224
[3-(1,1-difluoroethyl)-4-methoxyphenyl]methanesulfonyl chloride
CID 117458194
4-(2-aminooxyethyl)-2-methoxy-6-(trifluoromethyl)phenol
CID 117380355
O-[2-(4-methoxy-3-phenylphenyl)ethyl]hydroxylamine
CID 117360142
4-(2-bromoethyl)-2-tert-butyl-1-methoxybenzene
CID 82488264
2-[2-methoxy-5-(methoxymethyl)phenyl]propan-2-amine
CID 117299291
2-(3-tert-butyl-4-methoxyphenyl)ethylhydrazine
CID 94684195
O-[2-[3-(2-fluoro-2-methylpropyl)phenyl]ethyl]hydroxylamine
CID 117302040
O-[2-(3-cyclohexyl-4-methoxyphenyl)ethyl]hydroxylamine
CID 117377552
1,5-bis[4-methoxy-3-(trifluoromethyl)phenyl]pentan-3-one
CID 151393915
O-[2-[5-(1,1-difluoroethyl)-2,3-dimethoxyphenyl]ethyl]hydroxylamine
CID 117406777

Frequently Asked Questions

What is the IUPAC name of O-[2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethyl]hydroxylamine?
The IUPAC name of O-[2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethyl]hydroxylamine (CID 117333808) is O-[2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethyl]hydroxylamine.
What is the SMILES notation for O-[2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethyl]hydroxylamine?
The canonical SMILES for O-[2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethyl]hydroxylamine is COc1ccc(CCON)cc1C(C)(F)F.
What is the InChIKey of O-[2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethyl]hydroxylamine?
The InChIKey is GZSXOEKIIDSDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO2/c1-11(12,13)9-7-8(5-6-16-14)3-4-10(9)15-2/h3-4,7H,5-6,14H2,1-2H3.
What are the key properties of O-[2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethyl]hydroxylamine?
O-[2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethyl]hydroxylamine has a molecular weight of 231.24 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethyl]hydroxylamine is sourced from PubChem (CID 117333808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).