(NZ)-N-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methylidene]hydroxylamine

C10H11F2NO3 — CID 95732521

IUPAC(NZ)-N-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methylidene]hydroxylamine
SMILESCOc1cc(/C=N\O)ccc1OCC(F)F
InChIInChI=1S/C10H11F2NO3/c1-15-9-4-7(5-13-14)2-3-8(9)16-6-10(11)12/h2-5,10,14H,6H2,1H3/b13-5-
InChIKeyLAIMKALSOILNKY-ACAGNQJTSA-N
MW231.20 g/mol
LogP2.15
Rot. Bonds5

About (NZ)-N-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methylidene]hydroxylamine

(NZ)-N-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methylidene]hydroxylamine (PubChem CID 95732521) has the molecular formula C10H11F2NO3 and a molecular weight of 231.20 g/mol. Its IUPAC name is (NZ)-N-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methylidene]hydroxylamine
PubChem CID95732521
Molecular FormulaC10H11F2NO3
Molecular Weight231.20 g/mol
Exact Mass231.07
IUPAC Name(NZ)-N-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methylidene]hydroxylamine
SMILESCOc1cc(/C=N\O)ccc1OCC(F)F
InChIInChI=1S/C10H11F2NO3/c1-15-9-4-7(5-13-14)2-3-8(9)16-6-10(11)12/h2-5,10,14H,6H2,1H3/b13-5-
InChIKeyLAIMKALSOILNKY-ACAGNQJTSA-N
XLogP2.15
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(difluoromethoxy)-4-methoxyphenyl]methylidene]hydroxylamine
CID 76872352
N-[(3-fluoro-4-methoxyphenyl)methylidene]hydroxylamine
CID 74061800
(NZ)-N-[(3-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine
CID 6199793
(NE)-N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 5350145
(NZ)-N-[[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 5408753
(NE)-N-[[4-(2,2-difluoroethoxy)phenyl]methylidene]hydroxylamine
CID 50896716
(NZ)-N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 91681827
N-[[4-[2-(4-tert-butylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 20985930
N-[[3-methoxy-4-[2-(2,3,6-trimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22680571
[4-(hydroxyiminomethyl)-2-methoxyphenyl] acetate
CID 4619738
2-[5-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]acetic acid
CID 87800721
(NZ)-N-[[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]methylidene]hydroxylamine
CID 91681635

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methylidene]hydroxylamine (CID 95732521) is (NZ)-N-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methylidene]hydroxylamine is COc1cc(/C=N\O)ccc1OCC(F)F.
What is the InChIKey of (NZ)-N-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methylidene]hydroxylamine?
The InChIKey is LAIMKALSOILNKY-ACAGNQJTSA-N. The full InChI is InChI=1S/C10H11F2NO3/c1-15-9-4-7(5-13-14)2-3-8(9)16-6-10(11)12/h2-5,10,14H,6H2,1H3/b13-5-.
What are the key properties of (NZ)-N-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methylidene]hydroxylamine?
(NZ)-N-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methylidene]hydroxylamine has a molecular weight of 231.20 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methylidene]hydroxylamine is sourced from PubChem (CID 95732521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).