N-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine

C14H12FNO2 — CID 798181

IUPACN-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
SMILESON=Cc1ccccc1OCc1cccc(F)c1
InChIInChI=1S/C14H12FNO2/c15-13-6-3-4-11(8-13)10-18-14-7-2-1-5-12(14)9-16-17/h1-9,17H,10H2
InChIKeyJFUPGXYZUNXGHZ-UHFFFAOYSA-N
MW245.25 g/mol
LogP3.21
Rot. Bonds4

About N-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine

N-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine (PubChem CID 798181) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is N-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
PubChem CID798181
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC NameN-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
SMILESON=Cc1ccccc1OCc1cccc(F)c1
InChIInChI=1S/C14H12FNO2/c15-13-6-3-4-11(8-13)10-18-14-7-2-1-5-12(14)9-16-17/h1-9,17H,10H2
InChIKeyJFUPGXYZUNXGHZ-UHFFFAOYSA-N
XLogP3.21
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

[2-[(3-fluorophenyl)methoxy]phenyl]methylidenehydrazine
CID 168529846
3-[2-[(3-fluorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 5116496
N-[[4-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382104
N-benzyl-N'-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 8903011
(NZ)-N-[[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 5408753
(NZ)-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 5408745
N'-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-N-propan-2-yloxamide
CID 8902994
(NE)-N-[[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 91682760
N-butyl-N'-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 8903006
3-chloro-N-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide
CID 126058826
N-(1-azabicyclo[2.2.2]octan-3-yloxy)-1-[2-[(3-fluorophenyl)methoxy]phenyl]methanimine
CID 78138881
N'-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 8903027

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine?
The IUPAC name of N-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine (CID 798181) is N-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine is ON=Cc1ccccc1OCc1cccc(F)c1.
What is the InChIKey of N-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine?
The InChIKey is JFUPGXYZUNXGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2/c15-13-6-3-4-11(8-13)10-18-14-7-2-1-5-12(14)9-16-17/h1-9,17H,10H2.
What are the key properties of N-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine?
N-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine has a molecular weight of 245.25 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 798181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).