(NE)-N-[(2E)-1,2-bis(4-fluorophenyl)-2-hydroxyiminoethylidene]hydroxylamine

C14H10F2N2O2 — CID 177490589

IUPAC(NE)-N-[(2E)-1,2-bis(4-fluorophenyl)-2-hydroxyiminoethylidene]hydroxylamine
SMILESO/N=C(C(=N/O)/c1ccc(F)cc1)\c1ccc(F)cc1
InChIInChI=1S/C14H10F2N2O2/c15-11-5-1-9(2-6-11)13(17-19)14(18-20)10-3-7-12(16)8-4-10/h1-8,19-20H/b17-13+,18-14+
InChIKeyZEGJFCPQDKMWNT-HBKJEHTGSA-N
MW276.24 g/mol
LogP3.02
Rot. Bonds3

About (NE)-N-[(2E)-1,2-bis(4-fluorophenyl)-2-hydroxyiminoethylidene]hydroxylamine

(NE)-N-[(2E)-1,2-bis(4-fluorophenyl)-2-hydroxyiminoethylidene]hydroxylamine (PubChem CID 177490589) has the molecular formula C14H10F2N2O2 and a molecular weight of 276.24 g/mol. Its IUPAC name is (NE)-N-[(2E)-1,2-bis(4-fluorophenyl)-2-hydroxyiminoethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2E)-1,2-bis(4-fluorophenyl)-2-hydroxyiminoethylidene]hydroxylamine
PubChem CID177490589
Molecular FormulaC14H10F2N2O2
Molecular Weight276.24 g/mol
Exact Mass276.07
IUPAC Name(NE)-N-[(2E)-1,2-bis(4-fluorophenyl)-2-hydroxyiminoethylidene]hydroxylamine
SMILESO/N=C(C(=N/O)/c1ccc(F)cc1)\c1ccc(F)cc1
InChIInChI=1S/C14H10F2N2O2/c15-11-5-1-9(2-6-11)13(17-19)14(18-20)10-3-7-12(16)8-4-10/h1-8,19-20H/b17-13+,18-14+
InChIKeyZEGJFCPQDKMWNT-HBKJEHTGSA-N
XLogP3.02
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'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-(4-fluorophenyl)-2-hydroxyimino-1-pyridin-4-ylethanone
CID 72819808
(2Z)-1-(4-fluorophenyl)-2-hydroxyimino-2-pyridin-4-ylethanone
CID 135741597
(2E)-1-(4-fluorophenyl)-2-(2-fluoro-4-pyridinyl)-2-hydroxyiminoethanone
CID 135442250
1-[1,2-dibromo-2-(4-fluorophenyl)ethenyl]-4-fluorobenzene
CID 139674428
N,N'-bis(2,6-dimethylphenyl)-1,2-bis(4-fluorophenyl)ethane-1,2-diimine
CID 140654196
N-[1-(4-fluorophenyl)-2-(hydroxyamino)-2-methylpropylidene]hydroxylamine
CID 876024
(NE)-N-[3,3-bis(4-fluorophenyl)prop-2-enylidene]hydroxylamine
CID 177390235
(NZ)-N-[1-(4-fluorophenyl)-2-phenylethylidene]hydroxylamine
CID 22277781
1,4-difluorobenzene bromide
CID 21301175
(NE)-N-[1-(4-fluorophenyl)pent-4-enylidene]hydroxylamine
CID 131865269
N'-amino-4-fluorobenzenecarboximidamide;hydrochloride
CID 68690299
N,N'-bis[2,6-di(propan-2-yl)phenyl]-1,2-bis(4-fluorophenyl)ethane-1,2-diimine
CID 20647689

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2E)-1,2-bis(4-fluorophenyl)-2-hydroxyiminoethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2E)-1,2-bis(4-fluorophenyl)-2-hydroxyiminoethylidene]hydroxylamine (CID 177490589) is (NE)-N-[(2E)-1,2-bis(4-fluorophenyl)-2-hydroxyiminoethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2E)-1,2-bis(4-fluorophenyl)-2-hydroxyiminoethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2E)-1,2-bis(4-fluorophenyl)-2-hydroxyiminoethylidene]hydroxylamine is O/N=C(C(=N/O)/c1ccc(F)cc1)\c1ccc(F)cc1.
What is the InChIKey of (NE)-N-[(2E)-1,2-bis(4-fluorophenyl)-2-hydroxyiminoethylidene]hydroxylamine?
The InChIKey is ZEGJFCPQDKMWNT-HBKJEHTGSA-N. The full InChI is InChI=1S/C14H10F2N2O2/c15-11-5-1-9(2-6-11)13(17-19)14(18-20)10-3-7-12(16)8-4-10/h1-8,19-20H/b17-13+,18-14+.
What are the key properties of (NE)-N-[(2E)-1,2-bis(4-fluorophenyl)-2-hydroxyiminoethylidene]hydroxylamine?
(NE)-N-[(2E)-1,2-bis(4-fluorophenyl)-2-hydroxyiminoethylidene]hydroxylamine has a molecular weight of 276.24 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2E)-1,2-bis(4-fluorophenyl)-2-hydroxyiminoethylidene]hydroxylamine is sourced from PubChem (CID 177490589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).