O-[2-(difluoromethyl)-4-nitrophenyl]hydroxylamine

C7H6F2N2O3 — CID 79427922

IUPACO-[2-(difluoromethyl)-4-nitrophenyl]hydroxylamine
SMILESNOc1ccc([N+](=O)[O-])cc1C(F)F
InChIInChI=1S/C7H6F2N2O3/c8-7(9)5-3-4(11(12)13)1-2-6(5)14-10/h1-3,7H,10H2
InChIKeyJCUMTCNSOPOABP-UHFFFAOYSA-N
MW204.13 g/mol
LogP1.78
Rot. Bonds3

About O-[2-(difluoromethyl)-4-nitrophenyl]hydroxylamine

O-[2-(difluoromethyl)-4-nitrophenyl]hydroxylamine (PubChem CID 79427922) has the molecular formula C7H6F2N2O3 and a molecular weight of 204.13 g/mol. Its IUPAC name is O-[2-(difluoromethyl)-4-nitrophenyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(difluoromethyl)-4-nitrophenyl]hydroxylamine
PubChem CID79427922
Molecular FormulaC7H6F2N2O3
Molecular Weight204.13 g/mol
Exact Mass204.03
IUPAC NameO-[2-(difluoromethyl)-4-nitrophenyl]hydroxylamine
SMILESNOc1ccc([N+](=O)[O-])cc1C(F)F
InChIInChI=1S/C7H6F2N2O3/c8-7(9)5-3-4(11(12)13)1-2-6(5)14-10/h1-3,7H,10H2
InChIKeyJCUMTCNSOPOABP-UHFFFAOYSA-N
XLogP1.78
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.13
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromo-4-fluorophenoxy)-2-(difluoromethyl)-4-nitrobenzene
CID 63749354
1-bromo-2-(difluoromethyl)-4-nitrobenzene
CID 122515601
1-(difluoromethyl)-2,4-dinitrobenzene
CID 154791323
4-[[2-(difluoromethyl)-4-nitrophenoxy]methyl]piperidine
CID 63736360
2-aminooxy-5-nitrobenzamide
CID 79421918
2-(difluoromethyl)-4-nitrobenzenesulfonyl chloride
CID 63734804
2-[[2-(difluoromethyl)-4-nitrophenoxy]methyl]-6-methylmorpholine
CID 102635311
1-(difluoromethyl)-4-nitro-2-pentoxybenzene
CID 155169972
1-(3-chloropropyl)-2-(difluoromethyl)-4-nitrobenzene
CID 118842442
1-(2-methoxy-5-nitrophenyl)propan-1-amine
CID 43825597
1-N-[2-(difluoromethyl)-4-nitrophenyl]cyclobutane-1,3-diamine
CID 63735977
2-bromo-2-(2-methoxy-5-nitrophenyl)acetic acid
CID 18913798

Frequently Asked Questions

What is the IUPAC name of O-[2-(difluoromethyl)-4-nitrophenyl]hydroxylamine?
The IUPAC name of O-[2-(difluoromethyl)-4-nitrophenyl]hydroxylamine (CID 79427922) is O-[2-(difluoromethyl)-4-nitrophenyl]hydroxylamine.
What is the SMILES notation for O-[2-(difluoromethyl)-4-nitrophenyl]hydroxylamine?
The canonical SMILES for O-[2-(difluoromethyl)-4-nitrophenyl]hydroxylamine is NOc1ccc([N+](=O)[O-])cc1C(F)F.
What is the InChIKey of O-[2-(difluoromethyl)-4-nitrophenyl]hydroxylamine?
The InChIKey is JCUMTCNSOPOABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O3/c8-7(9)5-3-4(11(12)13)1-2-6(5)14-10/h1-3,7H,10H2.
What are the key properties of O-[2-(difluoromethyl)-4-nitrophenyl]hydroxylamine?
O-[2-(difluoromethyl)-4-nitrophenyl]hydroxylamine has a molecular weight of 204.13 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(difluoromethyl)-4-nitrophenyl]hydroxylamine is sourced from PubChem (CID 79427922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).