N-[difluoro-(2,3,4-trifluorophenyl)methyl]hydroxylamine

C7H4F5NO — CID 54520746

IUPACN-[difluoro-(2,3,4-trifluorophenyl)methyl]hydroxylamine
SMILESONC(F)(F)c1ccc(F)c(F)c1F
InChIInChI=1S/C7H4F5NO/c8-4-2-1-3(5(9)6(4)10)7(11,12)13-14/h1-2,13-14H
InChIKeyYPPRWJYITIDHRB-UHFFFAOYSA-N
MW213.10 g/mol
LogP2.13
Rot. Bonds2

About N-[difluoro-(2,3,4-trifluorophenyl)methyl]hydroxylamine

N-[difluoro-(2,3,4-trifluorophenyl)methyl]hydroxylamine (PubChem CID 54520746) has the molecular formula C7H4F5NO and a molecular weight of 213.10 g/mol. Its IUPAC name is N-[difluoro-(2,3,4-trifluorophenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[difluoro-(2,3,4-trifluorophenyl)methyl]hydroxylamine
PubChem CID54520746
Molecular FormulaC7H4F5NO
Molecular Weight213.10 g/mol
Exact Mass213.02
IUPAC NameN-[difluoro-(2,3,4-trifluorophenyl)methyl]hydroxylamine
SMILESONC(F)(F)c1ccc(F)c(F)c1F
InChIInChI=1S/C7H4F5NO/c8-4-2-1-3(5(9)6(4)10)7(11,12)13-14/h1-2,13-14H
InChIKeyYPPRWJYITIDHRB-UHFFFAOYSA-N
XLogP2.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.10
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[difluoro-(2,3,4-trifluorophenyl)methyl]hydroxylamine?
The IUPAC name of N-[difluoro-(2,3,4-trifluorophenyl)methyl]hydroxylamine (CID 54520746) is N-[difluoro-(2,3,4-trifluorophenyl)methyl]hydroxylamine.
What is the SMILES notation for N-[difluoro-(2,3,4-trifluorophenyl)methyl]hydroxylamine?
The canonical SMILES for N-[difluoro-(2,3,4-trifluorophenyl)methyl]hydroxylamine is ONC(F)(F)c1ccc(F)c(F)c1F.
What is the InChIKey of N-[difluoro-(2,3,4-trifluorophenyl)methyl]hydroxylamine?
The InChIKey is YPPRWJYITIDHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F5NO/c8-4-2-1-3(5(9)6(4)10)7(11,12)13-14/h1-2,13-14H.
What are the key properties of N-[difluoro-(2,3,4-trifluorophenyl)methyl]hydroxylamine?
N-[difluoro-(2,3,4-trifluorophenyl)methyl]hydroxylamine has a molecular weight of 213.10 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[difluoro-(2,3,4-trifluorophenyl)methyl]hydroxylamine is sourced from PubChem (CID 54520746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).