N-[[3-(difluoromethoxy)phenyl]methyl]hydroxylamine

C8H9F2NO2 — CID 117281301

IUPACN-[[3-(difluoromethoxy)phenyl]methyl]hydroxylamine
SMILESONCc1cccc(OC(F)F)c1
InChIInChI=1S/C8H9F2NO2/c9-8(10)13-7-3-1-2-6(4-7)5-11-12/h1-4,8,11-12H,5H2
InChIKeyHUWTYPMSZMGENR-UHFFFAOYSA-N
MW189.16 g/mol
LogP1.77
Rot. Bonds4

About N-[[3-(difluoromethoxy)phenyl]methyl]hydroxylamine

N-[[3-(difluoromethoxy)phenyl]methyl]hydroxylamine (PubChem CID 117281301) has the molecular formula C8H9F2NO2 and a molecular weight of 189.16 g/mol. Its IUPAC name is N-[[3-(difluoromethoxy)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-[[3-(difluoromethoxy)phenyl]methyl]hydroxylamine
PubChem CID117281301
Molecular FormulaC8H9F2NO2
Molecular Weight189.16 g/mol
Exact Mass189.06
IUPAC NameN-[[3-(difluoromethoxy)phenyl]methyl]hydroxylamine
SMILESONCc1cccc(OC(F)F)c1
InChIInChI=1S/C8H9F2NO2/c9-8(10)13-7-3-1-2-6(4-7)5-11-12/h1-4,8,11-12H,5H2
InChIKeyHUWTYPMSZMGENR-UHFFFAOYSA-N
XLogP1.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.16
LogP ≤ 51.77
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-[[3-(difluoromethoxy)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 49467029
[3-(difluoromethoxy)phenyl]methanol
CID 2736994
2-[4-(difluoromethoxy)phenyl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 32734290
1-amino-N-[[3-(difluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide
CID 83316158
N-[[3-(difluoromethoxy)phenyl]methyl]pentanamide
CID 49337433
3-[[3-(difluoromethoxy)anilino]methyl]phenol
CID 43698912
4-(difluoromethoxy)-N-[(3-methoxyphenyl)methyl]aniline
CID 28623734
2-[3-(difluoromethoxy)phenyl]ethanamine
CID 45091388
1-[[3-(difluoromethoxy)phenyl]methyl]-3-(furan-3-ylmethyl)urea
CID 49479533
1-(1-bicyclo[1.1.1]pentanyl)-3-[[3-(difluoromethoxy)phenyl]methyl]urea
CID 169150536
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(2-fluorophenyl)methyl]urea
CID 49467023
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618724

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethoxy)phenyl]methyl]hydroxylamine?
The IUPAC name of N-[[3-(difluoromethoxy)phenyl]methyl]hydroxylamine (CID 117281301) is N-[[3-(difluoromethoxy)phenyl]methyl]hydroxylamine.
What is the SMILES notation for N-[[3-(difluoromethoxy)phenyl]methyl]hydroxylamine?
The canonical SMILES for N-[[3-(difluoromethoxy)phenyl]methyl]hydroxylamine is ONCc1cccc(OC(F)F)c1.
What is the InChIKey of N-[[3-(difluoromethoxy)phenyl]methyl]hydroxylamine?
The InChIKey is HUWTYPMSZMGENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO2/c9-8(10)13-7-3-1-2-6(4-7)5-11-12/h1-4,8,11-12H,5H2.
What are the key properties of N-[[3-(difluoromethoxy)phenyl]methyl]hydroxylamine?
N-[[3-(difluoromethoxy)phenyl]methyl]hydroxylamine has a molecular weight of 189.16 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethoxy)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 117281301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).