O-[2-(2-chloro-3-fluoro-5,6-dimethylphenyl)ethyl]hydroxylamine

C10H13ClFNO — CID 117310349

IUPACO-[2-(2-chloro-3-fluoro-5,6-dimethylphenyl)ethyl]hydroxylamine
SMILESCc1cc(F)c(Cl)c(CCON)c1C
InChIInChI=1S/C10H13ClFNO/c1-6-5-9(12)10(11)8(7(6)2)3-4-14-13/h5H,3-4,13H2,1-2H3
InChIKeyDCGPCGYNYQNPHS-UHFFFAOYSA-N
MW217.67 g/mol
LogP2.53
Rot. Bonds3

About O-[2-(2-chloro-3-fluoro-5,6-dimethylphenyl)ethyl]hydroxylamine

O-[2-(2-chloro-3-fluoro-5,6-dimethylphenyl)ethyl]hydroxylamine (PubChem CID 117310349) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is O-[2-(2-chloro-3-fluoro-5,6-dimethylphenyl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(2-chloro-3-fluoro-5,6-dimethylphenyl)ethyl]hydroxylamine
PubChem CID117310349
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC NameO-[2-(2-chloro-3-fluoro-5,6-dimethylphenyl)ethyl]hydroxylamine
SMILESCc1cc(F)c(Cl)c(CCON)c1C
InChIInChI=1S/C10H13ClFNO/c1-6-5-9(12)10(11)8(7(6)2)3-4-14-13/h5H,3-4,13H2,1-2H3
InChIKeyDCGPCGYNYQNPHS-UHFFFAOYSA-N
XLogP2.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.67
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

O-[2-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)ethyl]hydroxylamine
CID 117445533
2-(2-aminooxyethyl)-6-bromo-3,4-dimethylphenol
CID 117403959
5-(2-aminooxyethyl)-2-chloro-6-fluoro-3-methylphenol
CID 117313560
2-(2-aminooxyethyl)-5-chloro-6-methoxy-3-methylphenol
CID 117335463
3-(3-chloro-2-fluoro-5,6-dimethylphenyl)propan-1-amine
CID 117307547
O-[2-(2,4-difluoro-6-methoxyphenyl)ethyl]hydroxylamine
CID 117291281
1-fluoro-2,4,5-trimethyl-3-propylbenzene
CID 146341300
O-[2-(4-chloro-2-fluorophenyl)ethyl]hydroxylamine
CID 117281685
O-[2-(4-chloro-2,5-difluorophenyl)ethyl]hydroxylamine
CID 117296930
1-(2-chloro-3-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-2-amine
CID 117366841
O-[2-(3-fluoro-5-methoxy-4-methylphenyl)ethyl]hydroxylamine
CID 117288478
O-[2-(4-fluoro-2-methoxy-5-methylphenyl)ethyl]hydroxylamine
CID 117288455

Frequently Asked Questions

What is the IUPAC name of O-[2-(2-chloro-3-fluoro-5,6-dimethylphenyl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(2-chloro-3-fluoro-5,6-dimethylphenyl)ethyl]hydroxylamine (CID 117310349) is O-[2-(2-chloro-3-fluoro-5,6-dimethylphenyl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(2-chloro-3-fluoro-5,6-dimethylphenyl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(2-chloro-3-fluoro-5,6-dimethylphenyl)ethyl]hydroxylamine is Cc1cc(F)c(Cl)c(CCON)c1C.
What is the InChIKey of O-[2-(2-chloro-3-fluoro-5,6-dimethylphenyl)ethyl]hydroxylamine?
The InChIKey is DCGPCGYNYQNPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO/c1-6-5-9(12)10(11)8(7(6)2)3-4-14-13/h5H,3-4,13H2,1-2H3.
What are the key properties of O-[2-(2-chloro-3-fluoro-5,6-dimethylphenyl)ethyl]hydroxylamine?
O-[2-(2-chloro-3-fluoro-5,6-dimethylphenyl)ethyl]hydroxylamine has a molecular weight of 217.67 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(2-chloro-3-fluoro-5,6-dimethylphenyl)ethyl]hydroxylamine is sourced from PubChem (CID 117310349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).