O-[2-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]hydroxylamine

C9H9ClF3NO — CID 117111465

IUPACO-[2-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]hydroxylamine
SMILESNOCCc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C9H9ClF3NO/c10-7-2-1-6(3-4-15-14)8(5-7)9(11,12)13/h1-2,5H,3-4,14H2
InChIKeyVGOCYMJUOUOMGY-UHFFFAOYSA-N
MW239.62 g/mol
LogP2.79
Rot. Bonds3

About O-[2-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]hydroxylamine

O-[2-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]hydroxylamine (PubChem CID 117111465) has the molecular formula C9H9ClF3NO and a molecular weight of 239.62 g/mol. Its IUPAC name is O-[2-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]hydroxylamine
PubChem CID117111465
Molecular FormulaC9H9ClF3NO
Molecular Weight239.62 g/mol
Exact Mass239.03
IUPAC NameO-[2-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]hydroxylamine
SMILESNOCCc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C9H9ClF3NO/c10-7-2-1-6(3-4-15-14)8(5-7)9(11,12)13/h1-2,5H,3-4,14H2
InChIKeyVGOCYMJUOUOMGY-UHFFFAOYSA-N
XLogP2.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.62
LogP ≤ 52.79
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

4-(2-aminooxyethyl)-3-(trifluoromethyl)phenol
CID 117315125
O-[2-(4-chloro-2-fluorophenyl)ethyl]hydroxylamine
CID 117281685
O-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 117319005
4-[4-chloro-2-(trifluoromethyl)phenyl]butanoic acid
CID 117108466
2-(2-aminooxyethyl)-4-chlorophenol
CID 117280923
ethyl 2-[4-chloro-2-(trifluoromethyl)phenyl]acetate
CID 53419399
O-[2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]ethyl]hydroxylamine
CID 117411889
1-[3-[4-chloro-2-(trifluoromethyl)phenyl]propyl]-4-methylpiperazine
CID 170862929
[4-(2,4-dichlorophenoxy)-2-(trifluoromethyl)phenyl]methanamine
CID 43528649
3-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoropropanoic acid
CID 162738006
O-[2-(4-chloro-2,5-difluorophenyl)ethyl]hydroxylamine
CID 117296930
3-[4-chloro-2-(trifluoromethyl)phenyl]-2-methylpropanal
CID 91884155

Frequently Asked Questions

What is the IUPAC name of O-[2-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]hydroxylamine?
The IUPAC name of O-[2-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]hydroxylamine (CID 117111465) is O-[2-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]hydroxylamine.
What is the SMILES notation for O-[2-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]hydroxylamine?
The canonical SMILES for O-[2-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]hydroxylamine is NOCCc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of O-[2-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]hydroxylamine?
The InChIKey is VGOCYMJUOUOMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3NO/c10-7-2-1-6(3-4-15-14)8(5-7)9(11,12)13/h1-2,5H,3-4,14H2.
What are the key properties of O-[2-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]hydroxylamine?
O-[2-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]hydroxylamine has a molecular weight of 239.62 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]hydroxylamine is sourced from PubChem (CID 117111465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).