5-(2-aminooxyethyl)-2-chloro-6-fluoro-3-methylphenol

C9H11ClFNO2 — CID 117313560

IUPAC5-(2-aminooxyethyl)-2-chloro-6-fluoro-3-methylphenol
SMILESCc1cc(CCON)c(F)c(O)c1Cl
InChIInChI=1S/C9H11ClFNO2/c1-5-4-6(2-3-14-12)8(11)9(13)7(5)10/h4,13H,2-3,12H2,1H3
InChIKeyIMEWALKLDBZHGV-UHFFFAOYSA-N
MW219.64 g/mol
LogP1.93
Rot. Bonds3

About 5-(2-aminooxyethyl)-2-chloro-6-fluoro-3-methylphenol

5-(2-aminooxyethyl)-2-chloro-6-fluoro-3-methylphenol (PubChem CID 117313560) has the molecular formula C9H11ClFNO2 and a molecular weight of 219.64 g/mol. Its IUPAC name is 5-(2-aminooxyethyl)-2-chloro-6-fluoro-3-methylphenol.

Molecular Properties

Compound Name5-(2-aminooxyethyl)-2-chloro-6-fluoro-3-methylphenol
PubChem CID117313560
Molecular FormulaC9H11ClFNO2
Molecular Weight219.64 g/mol
Exact Mass219.05
IUPAC Name5-(2-aminooxyethyl)-2-chloro-6-fluoro-3-methylphenol
SMILESCc1cc(CCON)c(F)c(O)c1Cl
InChIInChI=1S/C9H11ClFNO2/c1-5-4-6(2-3-14-12)8(11)9(13)7(5)10/h4,13H,2-3,12H2,1H3
InChIKeyIMEWALKLDBZHGV-UHFFFAOYSA-N
XLogP1.93
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.64
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2-amino-2-methylpropyl)-2-chloro-6-fluoro-3-methylphenol
CID 117335588
2-(2-aminooxyethyl)-4-fluoro-6-methylphenol
CID 117280100
O-[2-(2-fluoro-3,5-dimethylphenyl)ethyl]hydroxylamine
CID 117279513
O-[2-(2-fluoro-3,4-dimethoxy-5-methylphenyl)ethyl]hydroxylamine
CID 117330365
3-(2-aminooxyethyl)-2,6-dimethylphenol
CID 117278817
O-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethyl]hydroxylamine
CID 117339599
O-[2-(2-chloro-3-fluoro-5,6-dimethylphenyl)ethyl]hydroxylamine
CID 117310349
O-[2-(4-fluoro-2-methoxy-5-methylphenyl)ethyl]hydroxylamine
CID 117288455
2-(2-aminooxyethyl)-5-chloro-6-methoxy-3-methylphenol
CID 117335463
4-(3-aminopropyl)-3-fluoro-6-methylbenzene-1,2-diol
CID 117288575
2-chloro-6-fluoro-3-methyl-5-(pyrrolidin-2-ylmethyl)phenol
CID 117361291
O-[2-(5-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]hydroxylamine
CID 117372291

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminooxyethyl)-2-chloro-6-fluoro-3-methylphenol?
The IUPAC name of 5-(2-aminooxyethyl)-2-chloro-6-fluoro-3-methylphenol (CID 117313560) is 5-(2-aminooxyethyl)-2-chloro-6-fluoro-3-methylphenol.
What is the SMILES notation for 5-(2-aminooxyethyl)-2-chloro-6-fluoro-3-methylphenol?
The canonical SMILES for 5-(2-aminooxyethyl)-2-chloro-6-fluoro-3-methylphenol is Cc1cc(CCON)c(F)c(O)c1Cl.
What is the InChIKey of 5-(2-aminooxyethyl)-2-chloro-6-fluoro-3-methylphenol?
The InChIKey is IMEWALKLDBZHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO2/c1-5-4-6(2-3-14-12)8(11)9(13)7(5)10/h4,13H,2-3,12H2,1H3.
What are the key properties of 5-(2-aminooxyethyl)-2-chloro-6-fluoro-3-methylphenol?
5-(2-aminooxyethyl)-2-chloro-6-fluoro-3-methylphenol has a molecular weight of 219.64 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminooxyethyl)-2-chloro-6-fluoro-3-methylphenol is sourced from PubChem (CID 117313560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).