N-[4-[[4-[(ethenylamino)methyl]-2,6-difluorophenyl]methoxy]phenoxy]-N-fluorohydroxylamine

C16H15F3N2O3 — CID 177004788

IUPACN-[4-[[4-[(ethenylamino)methyl]-2,6-difluorophenyl]methoxy]phenoxy]-N-fluorohydroxylamine
SMILESC=CNCc1cc(F)c(COc2ccc(ON(O)F)cc2)c(F)c1
InChIInChI=1S/C16H15F3N2O3/c1-2-20-9-11-7-15(17)14(16(18)8-11)10-23-12-3-5-13(6-4-12)24-21(19)22/h2-8,20,22H,1,9-10H2
InChIKeyAFZSRAHPNXIDBL-UHFFFAOYSA-N
MW340.30 g/mol
LogP3.65
Rot. Bonds8

About N-[4-[[4-[(ethenylamino)methyl]-2,6-difluorophenyl]methoxy]phenoxy]-N-fluorohydroxylamine

N-[4-[[4-[(ethenylamino)methyl]-2,6-difluorophenyl]methoxy]phenoxy]-N-fluorohydroxylamine (PubChem CID 177004788) has the molecular formula C16H15F3N2O3 and a molecular weight of 340.30 g/mol. Its IUPAC name is N-[4-[[4-[(ethenylamino)methyl]-2,6-difluorophenyl]methoxy]phenoxy]-N-fluorohydroxylamine.

Molecular Properties

Compound NameN-[4-[[4-[(ethenylamino)methyl]-2,6-difluorophenyl]methoxy]phenoxy]-N-fluorohydroxylamine
PubChem CID177004788
Molecular FormulaC16H15F3N2O3
Molecular Weight340.30 g/mol
Exact Mass340.10
IUPAC NameN-[4-[[4-[(ethenylamino)methyl]-2,6-difluorophenyl]methoxy]phenoxy]-N-fluorohydroxylamine
SMILESC=CNCc1cc(F)c(COc2ccc(ON(O)F)cc2)c(F)c1
InChIInChI=1S/C16H15F3N2O3/c1-2-20-9-11-7-15(17)14(16(18)8-11)10-23-12-3-5-13(6-4-12)24-21(19)22/h2-8,20,22H,1,9-10H2
InChIKeyAFZSRAHPNXIDBL-UHFFFAOYSA-N
XLogP3.65
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-[[4-[(ethenylamino)methyl]-2,6-difluorophenyl]methoxy]phenoxy]-N-fluorohydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[[2,6-difluoro-4-[(2E,4E,6E)-2-methoxy-6-methylnona-2,4,6-trien-4-yl]phenyl]methoxy]phenoxy]-N-fluorohydroxylamine
CID 177004759
N-[(4-ethoxyphenyl)methyl]ethenamine
CID 166934902
3,5-difluoro-4-[[4-(fluoroamino)oxyphenoxy]methyl]-N-methylbenzamide
CID 177004802
4-[(4-ethenylphenoxy)methyl]-2,3,5,6-tetrafluorophenol
CID 140941318
N-[(E)-butan-2-ylideneamino]-N-[(Z)-but-1-enyl]-3,5-difluoro-4-[(4-methylphenoxy)methyl]aniline
CID 177004874
1,3-difluoro-5-[(4-methylphenoxy)methyl]-2-(trifluoromethyl)benzene
CID 143727087
4-[4-[(2,6-difluorophenyl)methoxy]phenyl]butan-2-one
CID 103990814
(NZ)-N-[1-[4-[(2,6-difluorophenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
CID 114930385
N-[[4-[(3,4-difluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 82918137
1,2,3,4,5-pentafluoro-6-[[4-[4-[(2,3,4,5,6-pentafluorophenyl)methoxy]phenoxy]phenoxy]methyl]benzene
CID 141088240
N-[[3-[(4-ethylphenoxy)methyl]-4-fluorophenyl]methyl]ethanamine
CID 107457309
4-(ethylaminomethyl)-2,6-difluoro-N-(3-fluorophenyl)-N-methylaniline
CID 63075774

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[(ethenylamino)methyl]-2,6-difluorophenyl]methoxy]phenoxy]-N-fluorohydroxylamine?
The IUPAC name of N-[4-[[4-[(ethenylamino)methyl]-2,6-difluorophenyl]methoxy]phenoxy]-N-fluorohydroxylamine (CID 177004788) is N-[4-[[4-[(ethenylamino)methyl]-2,6-difluorophenyl]methoxy]phenoxy]-N-fluorohydroxylamine.
What is the SMILES notation for N-[4-[[4-[(ethenylamino)methyl]-2,6-difluorophenyl]methoxy]phenoxy]-N-fluorohydroxylamine?
The canonical SMILES for N-[4-[[4-[(ethenylamino)methyl]-2,6-difluorophenyl]methoxy]phenoxy]-N-fluorohydroxylamine is C=CNCc1cc(F)c(COc2ccc(ON(O)F)cc2)c(F)c1.
What is the InChIKey of N-[4-[[4-[(ethenylamino)methyl]-2,6-difluorophenyl]methoxy]phenoxy]-N-fluorohydroxylamine?
The InChIKey is AFZSRAHPNXIDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3/c1-2-20-9-11-7-15(17)14(16(18)8-11)10-23-12-3-5-13(6-4-12)24-21(19)22/h2-8,20,22H,1,9-10H2.
What are the key properties of N-[4-[[4-[(ethenylamino)methyl]-2,6-difluorophenyl]methoxy]phenoxy]-N-fluorohydroxylamine?
N-[4-[[4-[(ethenylamino)methyl]-2,6-difluorophenyl]methoxy]phenoxy]-N-fluorohydroxylamine has a molecular weight of 340.30 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[(ethenylamino)methyl]-2,6-difluorophenyl]methoxy]phenoxy]-N-fluorohydroxylamine is sourced from PubChem (CID 177004788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).