6-(2-aminooxyethyl)-3-fluoro-2-methoxyphenol

C9H12FNO3 — CID 117289866

IUPAC6-(2-aminooxyethyl)-3-fluoro-2-methoxyphenol
SMILESCOc1c(F)ccc(CCON)c1O
InChIInChI=1S/C9H12FNO3/c1-13-9-7(10)3-2-6(8(9)12)4-5-14-11/h2-3,12H,4-5,11H2,1H3
InChIKeyLDVNHULGKOZHJH-UHFFFAOYSA-N
MW201.20 g/mol
LogP0.97
Rot. Bonds4

About 6-(2-aminooxyethyl)-3-fluoro-2-methoxyphenol

6-(2-aminooxyethyl)-3-fluoro-2-methoxyphenol (PubChem CID 117289866) has the molecular formula C9H12FNO3 and a molecular weight of 201.20 g/mol. Its IUPAC name is 6-(2-aminooxyethyl)-3-fluoro-2-methoxyphenol.

Molecular Properties

Compound Name6-(2-aminooxyethyl)-3-fluoro-2-methoxyphenol
PubChem CID117289866
Molecular FormulaC9H12FNO3
Molecular Weight201.20 g/mol
Exact Mass201.08
IUPAC Name6-(2-aminooxyethyl)-3-fluoro-2-methoxyphenol
SMILESCOc1c(F)ccc(CCON)c1O
InChIInChI=1S/C9H12FNO3/c1-13-9-7(10)3-2-6(8(9)12)4-5-14-11/h2-3,12H,4-5,11H2,1H3
InChIKeyLDVNHULGKOZHJH-UHFFFAOYSA-N
XLogP0.97
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-6-(3-hydroxypropyl)-2-methoxyphenol
CID 117289242
3-fluoro-6-(hydroxymethyl)-2-methoxyphenol
CID 84654293
3-fluoro-2-methoxy-6-[2-(methylamino)ethyl]phenol
CID 84668839
O-[2-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]ethyl]hydroxylamine
CID 117330362
6-(2-amino-2-methylpropyl)-3-fluoro-2-methoxyphenol
CID 117304251
O-[2-(3-fluoro-2-methoxy-4-methylphenyl)ethyl]hydroxylamine
CID 117288457
O-[2-[2,3-dimethoxy-4-(methoxymethyl)phenyl]ethyl]hydroxylamine
CID 117355228
6-(2-aminopropan-2-yl)-3-fluoro-2-methoxyphenol
CID 117288541
3-(2-aminooxyethyl)-4-bromo-6-fluoro-2-methoxyphenol
CID 117449311
O-[2-(3,5-difluoro-4-methoxyphenyl)ethyl]hydroxylamine
CID 117291293
6-fluoro-3-(hydroxymethyl)-2-methoxyphenol
CID 117276907
O-[2-(4-chloro-2-fluorophenyl)ethyl]hydroxylamine
CID 117281685

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminooxyethyl)-3-fluoro-2-methoxyphenol?
The IUPAC name of 6-(2-aminooxyethyl)-3-fluoro-2-methoxyphenol (CID 117289866) is 6-(2-aminooxyethyl)-3-fluoro-2-methoxyphenol.
What is the SMILES notation for 6-(2-aminooxyethyl)-3-fluoro-2-methoxyphenol?
The canonical SMILES for 6-(2-aminooxyethyl)-3-fluoro-2-methoxyphenol is COc1c(F)ccc(CCON)c1O.
What is the InChIKey of 6-(2-aminooxyethyl)-3-fluoro-2-methoxyphenol?
The InChIKey is LDVNHULGKOZHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO3/c1-13-9-7(10)3-2-6(8(9)12)4-5-14-11/h2-3,12H,4-5,11H2,1H3.
What are the key properties of 6-(2-aminooxyethyl)-3-fluoro-2-methoxyphenol?
6-(2-aminooxyethyl)-3-fluoro-2-methoxyphenol has a molecular weight of 201.20 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminooxyethyl)-3-fluoro-2-methoxyphenol is sourced from PubChem (CID 117289866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).