N-[(2S)-2-(4-fluorobut-3-en-2-yloxy)-2-(2-fluorophenyl)ethylidene]hydroxylamine

C12H13F2NO2 — CID 173435371

IUPACN-[(2S)-2-(4-fluorobut-3-en-2-yloxy)-2-(2-fluorophenyl)ethylidene]hydroxylamine
SMILESCC(C=CF)O[C@H](C=NO)c1ccccc1F
InChIInChI=1S/C12H13F2NO2/c1-9(6-7-13)17-12(8-15-16)10-4-2-3-5-11(10)14/h2-9,12,16H,1H3/t9?,12-/m1/s1
InChIKeyCGVXVSVVLHZODS-FFFFSGIJSA-N
MW241.24 g/mol
LogP3.22
Rot. Bonds5

About N-[(2S)-2-(4-fluorobut-3-en-2-yloxy)-2-(2-fluorophenyl)ethylidene]hydroxylamine

N-[(2S)-2-(4-fluorobut-3-en-2-yloxy)-2-(2-fluorophenyl)ethylidene]hydroxylamine (PubChem CID 173435371) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is N-[(2S)-2-(4-fluorobut-3-en-2-yloxy)-2-(2-fluorophenyl)ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(2S)-2-(4-fluorobut-3-en-2-yloxy)-2-(2-fluorophenyl)ethylidene]hydroxylamine
PubChem CID173435371
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC NameN-[(2S)-2-(4-fluorobut-3-en-2-yloxy)-2-(2-fluorophenyl)ethylidene]hydroxylamine
SMILESCC(C=CF)O[C@H](C=NO)c1ccccc1F
InChIInChI=1S/C12H13F2NO2/c1-9(6-7-13)17-12(8-15-16)10-4-2-3-5-11(10)14/h2-9,12,16H,1H3/t9?,12-/m1/s1
InChIKeyCGVXVSVVLHZODS-FFFFSGIJSA-N
XLogP3.22
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 53.22
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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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-fluorobut-3-en-2-yloxy)-2-(2-fluorophenyl)ethylidene]hydroxylamine?
The IUPAC name of N-[(2S)-2-(4-fluorobut-3-en-2-yloxy)-2-(2-fluorophenyl)ethylidene]hydroxylamine (CID 173435371) is N-[(2S)-2-(4-fluorobut-3-en-2-yloxy)-2-(2-fluorophenyl)ethylidene]hydroxylamine.
What is the SMILES notation for N-[(2S)-2-(4-fluorobut-3-en-2-yloxy)-2-(2-fluorophenyl)ethylidene]hydroxylamine?
The canonical SMILES for N-[(2S)-2-(4-fluorobut-3-en-2-yloxy)-2-(2-fluorophenyl)ethylidene]hydroxylamine is CC(C=CF)O[C@H](C=NO)c1ccccc1F.
What is the InChIKey of N-[(2S)-2-(4-fluorobut-3-en-2-yloxy)-2-(2-fluorophenyl)ethylidene]hydroxylamine?
The InChIKey is CGVXVSVVLHZODS-FFFFSGIJSA-N. The full InChI is InChI=1S/C12H13F2NO2/c1-9(6-7-13)17-12(8-15-16)10-4-2-3-5-11(10)14/h2-9,12,16H,1H3/t9?,12-/m1/s1.
What are the key properties of N-[(2S)-2-(4-fluorobut-3-en-2-yloxy)-2-(2-fluorophenyl)ethylidene]hydroxylamine?
N-[(2S)-2-(4-fluorobut-3-en-2-yloxy)-2-(2-fluorophenyl)ethylidene]hydroxylamine has a molecular weight of 241.24 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-fluorobut-3-en-2-yloxy)-2-(2-fluorophenyl)ethylidene]hydroxylamine is sourced from PubChem (CID 173435371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).