O-[2-[3-fluoro-2-(2-fluoropropan-2-yl)phenyl]ethyl]hydroxylamine

C11H15F2NO — CID 117306588

IUPACO-[2-[3-fluoro-2-(2-fluoropropan-2-yl)phenyl]ethyl]hydroxylamine
SMILESCC(C)(F)c1c(F)cccc1CCON
InChIInChI=1S/C11H15F2NO/c1-11(2,13)10-8(6-7-15-14)4-3-5-9(10)12/h3-5H,6-7,14H2,1-2H3
InChIKeyMQZRLUPSJBLPET-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.46
Rot. Bonds4

About O-[2-[3-fluoro-2-(2-fluoropropan-2-yl)phenyl]ethyl]hydroxylamine

O-[2-[3-fluoro-2-(2-fluoropropan-2-yl)phenyl]ethyl]hydroxylamine (PubChem CID 117306588) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is O-[2-[3-fluoro-2-(2-fluoropropan-2-yl)phenyl]ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-[3-fluoro-2-(2-fluoropropan-2-yl)phenyl]ethyl]hydroxylamine
PubChem CID117306588
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC NameO-[2-[3-fluoro-2-(2-fluoropropan-2-yl)phenyl]ethyl]hydroxylamine
SMILESCC(C)(F)c1c(F)cccc1CCON
InChIInChI=1S/C11H15F2NO/c1-11(2,13)10-8(6-7-15-14)4-3-5-9(10)12/h3-5H,6-7,14H2,1-2H3
InChIKeyMQZRLUPSJBLPET-UHFFFAOYSA-N
XLogP2.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.46
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

2-[3-fluoro-2-(trifluoromethyl)phenyl]ethanamine
CID 84674830
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O-[2-[3-(2-fluoro-2-methylpropyl)phenyl]ethyl]hydroxylamine
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O-[2-(4-chloro-2-fluorophenyl)ethyl]hydroxylamine
CID 117281685
[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine
CID 112607929
O-[2-(2-methoxy-3-methylsulfanylphenyl)ethyl]hydroxylamine
CID 117304504
tert-butyl-(2-ethyl-6-fluorophenoxy)-dimethylsilane
CID 90310844
O-[2-[2-methyl-6-(trifluoromethyl)phenyl]ethyl]hydroxylamine
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1-(2-ethoxyethyl)-2,3-difluorobenzene
CID 57195328

Frequently Asked Questions

What is the IUPAC name of O-[2-[3-fluoro-2-(2-fluoropropan-2-yl)phenyl]ethyl]hydroxylamine?
The IUPAC name of O-[2-[3-fluoro-2-(2-fluoropropan-2-yl)phenyl]ethyl]hydroxylamine (CID 117306588) is O-[2-[3-fluoro-2-(2-fluoropropan-2-yl)phenyl]ethyl]hydroxylamine.
What is the SMILES notation for O-[2-[3-fluoro-2-(2-fluoropropan-2-yl)phenyl]ethyl]hydroxylamine?
The canonical SMILES for O-[2-[3-fluoro-2-(2-fluoropropan-2-yl)phenyl]ethyl]hydroxylamine is CC(C)(F)c1c(F)cccc1CCON.
What is the InChIKey of O-[2-[3-fluoro-2-(2-fluoropropan-2-yl)phenyl]ethyl]hydroxylamine?
The InChIKey is MQZRLUPSJBLPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-11(2,13)10-8(6-7-15-14)4-3-5-9(10)12/h3-5H,6-7,14H2,1-2H3.
What are the key properties of O-[2-[3-fluoro-2-(2-fluoropropan-2-yl)phenyl]ethyl]hydroxylamine?
O-[2-[3-fluoro-2-(2-fluoropropan-2-yl)phenyl]ethyl]hydroxylamine has a molecular weight of 215.24 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-[3-fluoro-2-(2-fluoropropan-2-yl)phenyl]ethyl]hydroxylamine is sourced from PubChem (CID 117306588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).