N-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]hydroxylamine

C9H10F3NO2 — CID 117315144

IUPACN-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]hydroxylamine
SMILESCOc1ccc(CNO)cc1C(F)(F)F
InChIInChI=1S/C9H10F3NO2/c1-15-8-3-2-6(5-13-14)4-7(8)9(10,11)12/h2-4,13-14H,5H2,1H3
InChIKeyFKGNZIIFHRWUAY-UHFFFAOYSA-N
MW221.18 g/mol
LogP2.19
Rot. Bonds3

About N-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]hydroxylamine

N-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]hydroxylamine (PubChem CID 117315144) has the molecular formula C9H10F3NO2 and a molecular weight of 221.18 g/mol. Its IUPAC name is N-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]hydroxylamine
PubChem CID117315144
Molecular FormulaC9H10F3NO2
Molecular Weight221.18 g/mol
Exact Mass221.07
IUPAC NameN-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]hydroxylamine
SMILESCOc1ccc(CNO)cc1C(F)(F)F
InChIInChI=1S/C9H10F3NO2/c1-15-8-3-2-6(5-13-14)4-7(8)9(10,11)12/h2-4,13-14H,5H2,1H3
InChIKeyFKGNZIIFHRWUAY-UHFFFAOYSA-N
XLogP2.19
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 52.19
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-[4-methoxy-3-(trifluoromethyl)phenyl]propan-2-ol
CID 117339948
1,5-bis[4-methoxy-3-(trifluoromethyl)phenyl]pentan-3-one
CID 151393915
4-[(hydroxyamino)methyl]-2-(trifluoromethyl)phenol
CID 117295399
N-[(3-methoxy-4-methylphenyl)methyl]hydroxylamine
CID 117276489
methyl (2S)-2-amino-3-[4-methoxy-3-(trifluoromethyl)phenyl]propanoate
CID 95931969
1-[3-methoxy-4-(trifluoromethyl)phenyl]-N-methylmethanamine;hydrochloride
CID 155970638
N-[[4-(2-fluoroethoxy)-3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 80700225
phenyl 2-[4-methoxy-3-(trifluoromethyl)phenyl]acetate
CID 157319709
[4-methoxy-3-(trifluoromethyl)phenyl]methyl N-(diaminomethylidene)carbamate;hydrochloride
CID 22435440
methyl 4-methoxy-3-(trifluoromethyl)benzoate
CID 19360538
N-[[4-prop-2-enoxy-3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 63319634
N-[[5-chloro-4-methoxy-2-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 117391970

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]hydroxylamine?
The IUPAC name of N-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]hydroxylamine (CID 117315144) is N-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]hydroxylamine.
What is the SMILES notation for N-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]hydroxylamine?
The canonical SMILES for N-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]hydroxylamine is COc1ccc(CNO)cc1C(F)(F)F.
What is the InChIKey of N-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]hydroxylamine?
The InChIKey is FKGNZIIFHRWUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2/c1-15-8-3-2-6(5-13-14)4-7(8)9(10,11)12/h2-4,13-14H,5H2,1H3.
What are the key properties of N-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]hydroxylamine?
N-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]hydroxylamine has a molecular weight of 221.18 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 117315144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).