N-[[5-chloro-4-methoxy-2-(trifluoromethyl)phenyl]methyl]hydroxylamine

C9H9ClF3NO2 — CID 117391970

IUPACN-[[5-chloro-4-methoxy-2-(trifluoromethyl)phenyl]methyl]hydroxylamine
SMILESCOc1cc(C(F)(F)F)c(CNO)cc1Cl
InChIInChI=1S/C9H9ClF3NO2/c1-16-8-3-6(9(11,12)13)5(4-14-15)2-7(8)10/h2-3,14-15H,4H2,1H3
InChIKeyNYRCHLQEHWVAJF-UHFFFAOYSA-N
MW255.62 g/mol
LogP2.85
Rot. Bonds3

About N-[[5-chloro-4-methoxy-2-(trifluoromethyl)phenyl]methyl]hydroxylamine

N-[[5-chloro-4-methoxy-2-(trifluoromethyl)phenyl]methyl]hydroxylamine (PubChem CID 117391970) has the molecular formula C9H9ClF3NO2 and a molecular weight of 255.62 g/mol. Its IUPAC name is N-[[5-chloro-4-methoxy-2-(trifluoromethyl)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-[[5-chloro-4-methoxy-2-(trifluoromethyl)phenyl]methyl]hydroxylamine
PubChem CID117391970
Molecular FormulaC9H9ClF3NO2
Molecular Weight255.62 g/mol
Exact Mass255.03
IUPAC NameN-[[5-chloro-4-methoxy-2-(trifluoromethyl)phenyl]methyl]hydroxylamine
SMILESCOc1cc(C(F)(F)F)c(CNO)cc1Cl
InChIInChI=1S/C9H9ClF3NO2/c1-16-8-3-6(9(11,12)13)5(4-14-15)2-7(8)10/h2-3,14-15H,4H2,1H3
InChIKeyNYRCHLQEHWVAJF-UHFFFAOYSA-N
XLogP2.85
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.62
LogP ≤ 52.85
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

1-chloro-5-(chloromethyl)-2-methoxy-4-(trifluoromethyl)benzene
CID 171007479
N-[[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]methyl]hydroxylamine
CID 117369713
N-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 117315144
2-chloro-4-[(methoxyamino)methyl]-5-(trifluoromethyl)phenol
CID 117391955
1-chloro-2-methoxy-4-methyl-5-(trifluoromethyl)benzene
CID 116964823
N-[(5-chloro-2-methoxy-4-propan-2-ylphenyl)methyl]hydroxylamine
CID 117331725
5-chloro-4-methoxy-2-(trifluoromethyl)benzonitrile
CID 117343806
1-chloro-2-methoxy-4-methyl-5-(2,2,2-trifluoroethyl)benzene
CID 116932143
1-(5-chloro-2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 84671954
N-[(3-chloro-5-methoxy-4-methylphenyl)methyl]hydroxylamine
CID 117290406
[2-chloro-4-methoxy-5-(trifluoromethyl)phenyl]methanamine
CID 171020934
4-amino-4-[5-chloro-4-methoxy-2-(trifluoromethyl)phenyl]butanoic acid
CID 117496402

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-4-methoxy-2-(trifluoromethyl)phenyl]methyl]hydroxylamine?
The IUPAC name of N-[[5-chloro-4-methoxy-2-(trifluoromethyl)phenyl]methyl]hydroxylamine (CID 117391970) is N-[[5-chloro-4-methoxy-2-(trifluoromethyl)phenyl]methyl]hydroxylamine.
What is the SMILES notation for N-[[5-chloro-4-methoxy-2-(trifluoromethyl)phenyl]methyl]hydroxylamine?
The canonical SMILES for N-[[5-chloro-4-methoxy-2-(trifluoromethyl)phenyl]methyl]hydroxylamine is COc1cc(C(F)(F)F)c(CNO)cc1Cl.
What is the InChIKey of N-[[5-chloro-4-methoxy-2-(trifluoromethyl)phenyl]methyl]hydroxylamine?
The InChIKey is NYRCHLQEHWVAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3NO2/c1-16-8-3-6(9(11,12)13)5(4-14-15)2-7(8)10/h2-3,14-15H,4H2,1H3.
What are the key properties of N-[[5-chloro-4-methoxy-2-(trifluoromethyl)phenyl]methyl]hydroxylamine?
N-[[5-chloro-4-methoxy-2-(trifluoromethyl)phenyl]methyl]hydroxylamine has a molecular weight of 255.62 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-4-methoxy-2-(trifluoromethyl)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 117391970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).