O-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethyl]hydroxylamine

C10H13ClFNO2 — CID 117339599

IUPACO-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethyl]hydroxylamine
SMILESCOCc1cc(Cl)c(F)c(CCON)c1
InChIInChI=1S/C10H13ClFNO2/c1-14-6-7-4-8(2-3-15-13)10(12)9(11)5-7/h4-5H,2-3,6,13H2,1H3
InChIKeyHVTNCBAXSCHRAP-UHFFFAOYSA-N
MW233.67 g/mol
LogP2.06
Rot. Bonds5

About O-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethyl]hydroxylamine

O-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethyl]hydroxylamine (PubChem CID 117339599) has the molecular formula C10H13ClFNO2 and a molecular weight of 233.67 g/mol. Its IUPAC name is O-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethyl]hydroxylamine
PubChem CID117339599
Molecular FormulaC10H13ClFNO2
Molecular Weight233.67 g/mol
Exact Mass233.06
IUPAC NameO-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethyl]hydroxylamine
SMILESCOCc1cc(Cl)c(F)c(CCON)c1
InChIInChI=1S/C10H13ClFNO2/c1-14-6-7-4-8(2-3-15-13)10(12)9(11)5-7/h4-5H,2-3,6,13H2,1H3
InChIKeyHVTNCBAXSCHRAP-UHFFFAOYSA-N
XLogP2.06
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.67
LogP ≤ 52.06
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-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethanamine
CID 117310384
4-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]butan-1-amine
CID 117366823
3-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]propan-1-ol
CID 117337281
4-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]butanoic acid
CID 117406092
1-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethyl]piperazine
CID 117462551
O-[2-[3-bromo-5-chloro-4-(methoxymethyl)phenyl]ethyl]hydroxylamine
CID 117475178
O-[2-[3-fluoro-4-(methoxymethyl)phenyl]ethyl]hydroxylamine
CID 117288473
O-[2-(4-chloro-2,5-difluorophenyl)ethyl]hydroxylamine
CID 117296930
[1-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]cyclopropyl]methanamine
CID 117361412
5-(2-aminooxyethyl)-2-chloro-6-fluoro-3-methylphenol
CID 117313560
O-[2-(2-fluoro-3,5-dimethylphenyl)ethyl]hydroxylamine
CID 117279513
2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]-2-oxoacetic acid
CID 117369028

Frequently Asked Questions

What is the IUPAC name of O-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethyl]hydroxylamine?
The IUPAC name of O-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethyl]hydroxylamine (CID 117339599) is O-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethyl]hydroxylamine.
What is the SMILES notation for O-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethyl]hydroxylamine?
The canonical SMILES for O-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethyl]hydroxylamine is COCc1cc(Cl)c(F)c(CCON)c1.
What is the InChIKey of O-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethyl]hydroxylamine?
The InChIKey is HVTNCBAXSCHRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO2/c1-14-6-7-4-8(2-3-15-13)10(12)9(11)5-7/h4-5H,2-3,6,13H2,1H3.
What are the key properties of O-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethyl]hydroxylamine?
O-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethyl]hydroxylamine has a molecular weight of 233.67 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethyl]hydroxylamine is sourced from PubChem (CID 117339599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).