O-[2-[5-(1,1-difluoroethyl)-2,3-dimethoxyphenyl]ethyl]hydroxylamine

C12H17F2NO3 — CID 117406777

IUPACO-[2-[5-(1,1-difluoroethyl)-2,3-dimethoxyphenyl]ethyl]hydroxylamine
SMILESCOc1cc(C(C)(F)F)cc(CCON)c1OC
InChIInChI=1S/C12H17F2NO3/c1-12(13,14)9-6-8(4-5-18-15)11(17-3)10(7-9)16-2/h6-7H,4-5,15H2,1-3H3
InChIKeyAZHDZXHDYCPSSN-UHFFFAOYSA-N
MW261.27 g/mol
LogP2.25
Rot. Bonds6

About O-[2-[5-(1,1-difluoroethyl)-2,3-dimethoxyphenyl]ethyl]hydroxylamine

O-[2-[5-(1,1-difluoroethyl)-2,3-dimethoxyphenyl]ethyl]hydroxylamine (PubChem CID 117406777) has the molecular formula C12H17F2NO3 and a molecular weight of 261.27 g/mol. Its IUPAC name is O-[2-[5-(1,1-difluoroethyl)-2,3-dimethoxyphenyl]ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-[5-(1,1-difluoroethyl)-2,3-dimethoxyphenyl]ethyl]hydroxylamine
PubChem CID117406777
Molecular FormulaC12H17F2NO3
Molecular Weight261.27 g/mol
Exact Mass261.12
IUPAC NameO-[2-[5-(1,1-difluoroethyl)-2,3-dimethoxyphenyl]ethyl]hydroxylamine
SMILESCOc1cc(C(C)(F)F)cc(CCON)c1OC
InChIInChI=1S/C12H17F2NO3/c1-12(13,14)9-6-8(4-5-18-15)11(17-3)10(7-9)16-2/h6-7H,4-5,15H2,1-3H3
InChIKeyAZHDZXHDYCPSSN-UHFFFAOYSA-N
XLogP2.25
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 52.25
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-[2-[5-(fluoromethyl)-2,3-dimethoxyphenyl]ethyl]hydroxylamine
CID 117330369
O-[2-(2,3-dimethoxyphenyl)ethyl]hydroxylamine
CID 83484924
2-amino-1-[5-(1,1-difluoroethyl)-2,3-dimethoxyphenyl]ethanol
CID 117406771
4-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]butan-1-amine
CID 117407119
O-[2-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]hydroxylamine
CID 117448513
O-[2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethyl]hydroxylamine
CID 117333808
O-[2-(5-fluoro-2,4-dimethoxyphenyl)ethyl]hydroxylamine
CID 117306476
O-[2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 117427096
1-[5-(1,1-difluoroethyl)-2,3-dimethoxyphenyl]cyclopropan-1-ol
CID 117398910
O-[2-(3-bromo-2-methoxy-5-methylphenyl)ethyl]hydroxylamine
CID 117403967
O-[2-(4-fluoro-2-methoxy-5-methylphenyl)ethyl]hydroxylamine
CID 117288455
[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]methanol
CID 84685355

Frequently Asked Questions

What is the IUPAC name of O-[2-[5-(1,1-difluoroethyl)-2,3-dimethoxyphenyl]ethyl]hydroxylamine?
The IUPAC name of O-[2-[5-(1,1-difluoroethyl)-2,3-dimethoxyphenyl]ethyl]hydroxylamine (CID 117406777) is O-[2-[5-(1,1-difluoroethyl)-2,3-dimethoxyphenyl]ethyl]hydroxylamine.
What is the SMILES notation for O-[2-[5-(1,1-difluoroethyl)-2,3-dimethoxyphenyl]ethyl]hydroxylamine?
The canonical SMILES for O-[2-[5-(1,1-difluoroethyl)-2,3-dimethoxyphenyl]ethyl]hydroxylamine is COc1cc(C(C)(F)F)cc(CCON)c1OC.
What is the InChIKey of O-[2-[5-(1,1-difluoroethyl)-2,3-dimethoxyphenyl]ethyl]hydroxylamine?
The InChIKey is AZHDZXHDYCPSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO3/c1-12(13,14)9-6-8(4-5-18-15)11(17-3)10(7-9)16-2/h6-7H,4-5,15H2,1-3H3.
What are the key properties of O-[2-[5-(1,1-difluoroethyl)-2,3-dimethoxyphenyl]ethyl]hydroxylamine?
O-[2-[5-(1,1-difluoroethyl)-2,3-dimethoxyphenyl]ethyl]hydroxylamine has a molecular weight of 261.27 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-[5-(1,1-difluoroethyl)-2,3-dimethoxyphenyl]ethyl]hydroxylamine is sourced from PubChem (CID 117406777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).