N-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]hydroxylamine

C8H7F4NO — CID 117298129

IUPACN-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]hydroxylamine
SMILESONCc1cccc(F)c1C(F)(F)F
InChIInChI=1S/C8H7F4NO/c9-6-3-1-2-5(4-13-14)7(6)8(10,11)12/h1-3,13-14H,4H2
InChIKeyPIZRINZEEDKEHS-UHFFFAOYSA-N
MW209.14 g/mol
LogP2.32
Rot. Bonds2

About N-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]hydroxylamine

N-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]hydroxylamine (PubChem CID 117298129) has the molecular formula C8H7F4NO and a molecular weight of 209.14 g/mol. Its IUPAC name is N-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]hydroxylamine
PubChem CID117298129
Molecular FormulaC8H7F4NO
Molecular Weight209.14 g/mol
Exact Mass209.05
IUPAC NameN-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]hydroxylamine
SMILESONCc1cccc(F)c1C(F)(F)F
InChIInChI=1S/C8H7F4NO/c9-6-3-1-2-5(4-13-14)7(6)8(10,11)12/h1-3,13-14H,4H2
InChIKeyPIZRINZEEDKEHS-UHFFFAOYSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.14
LogP ≤ 52.32
H-Bond Donors ≤ 52
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
1-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]cyclopropan-1-ol
CID 117339844
1-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]cyclopropan-1-amine
CID 117337409
1-fluoro-3-(isocyanatomethyl)-2-(trifluoromethyl)benzene
CID 117311684
4-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]piperidine
CID 84806750
2-[(hydroxyamino)methyl]-5-(trifluoromethyl)phenol
CID 117295401
N-[[2-(trifluoromethoxy)phenyl]methyl]hydroxylamine
CID 82684299
bis[3-fluoro-2-(trifluoromethyl)phenyl]borinic acid
CID 53216380
1-fluoro-3-(2-fluorophenyl)-2-(trifluoromethyl)benzene
CID 46314542
ethane;1-fluoro-3-methyl-2-(trifluoromethyl)benzene
CID 143902908
3-fluoro-2-(trifluoromethyl)benzamide
CID 2774778
1-[3-fluoro-2-(trifluoromethyl)phenyl]-3-(methylamino)propane-1,2-diol
CID 171858474

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]hydroxylamine?
The IUPAC name of N-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]hydroxylamine (CID 117298129) is N-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]hydroxylamine.
What is the SMILES notation for N-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]hydroxylamine?
The canonical SMILES for N-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]hydroxylamine is ONCc1cccc(F)c1C(F)(F)F.
What is the InChIKey of N-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]hydroxylamine?
The InChIKey is PIZRINZEEDKEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F4NO/c9-6-3-1-2-5(4-13-14)7(6)8(10,11)12/h1-3,13-14H,4H2.
What are the key properties of N-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]hydroxylamine?
N-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]hydroxylamine has a molecular weight of 209.14 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 117298129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).