(NE)-N-[2-(3,4-difluorophenyl)-2-phenylethylidene]hydroxylamine

C14H11F2NO — CID 140984238

IUPAC(NE)-N-[2-(3,4-difluorophenyl)-2-phenylethylidene]hydroxylamine
SMILESO/N=C/C(c1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H11F2NO/c15-13-7-6-11(8-14(13)16)12(9-17-18)10-4-2-1-3-5-10/h1-9,12,18H/b17-9+
InChIKeyGRHTWRNSRXEYDI-RQZCQDPDSA-N
MW247.24 g/mol
LogP3.56
Rot. Bonds3

About (NE)-N-[2-(3,4-difluorophenyl)-2-phenylethylidene]hydroxylamine

(NE)-N-[2-(3,4-difluorophenyl)-2-phenylethylidene]hydroxylamine (PubChem CID 140984238) has the molecular formula C14H11F2NO and a molecular weight of 247.24 g/mol. Its IUPAC name is (NE)-N-[2-(3,4-difluorophenyl)-2-phenylethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2-(3,4-difluorophenyl)-2-phenylethylidene]hydroxylamine
PubChem CID140984238
Molecular FormulaC14H11F2NO
Molecular Weight247.24 g/mol
Exact Mass247.08
IUPAC Name(NE)-N-[2-(3,4-difluorophenyl)-2-phenylethylidene]hydroxylamine
SMILESO/N=C/C(c1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H11F2NO/c15-13-7-6-11(8-14(13)16)12(9-17-18)10-4-2-1-3-5-10/h1-9,12,18H/b17-9+
InChIKeyGRHTWRNSRXEYDI-RQZCQDPDSA-N
XLogP3.56
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-amino-1-(3,4-difluorophenyl)-2-phenylethanol
CID 62718129
[(S)-(3,4-difluorophenyl)-phenylmethyl]hydrazine
CID 124596469
(1S)-1-(3,4-difluorophenyl)ethanamine;2-hydroxy-2-phenylacetic acid
CID 174417631
1-(3,4-difluorophenyl)-2-methoxy-2-phenylethanol
CID 116756981
(3,4-difluorophenyl)-(3-methylphenyl)methanol
CID 2758296
2-bromo-2-(3,4-difluorophenyl)acetic acid
CID 22626650
(NZ)-N-[(E)-3-(3,4-difluorophenyl)-1-phenylprop-2-enylidene]hydroxylamine
CID 102334579
1-(3,4-difluorophenyl)-1-phenylbutan-2-one
CID 167542388
2-(3,4-difluorophenyl)-2-hydroxy-1-phenylethanone
CID 22004300
2,2-bis(3,4-difluorophenyl)acetic acid
CID 20677452
(3,4-difluorophenyl)-(2-fluorophenyl)methanol
CID 61088873
1-(3,4-difluorophenyl)-2-ethoxy-2-phenylethanol
CID 116757203

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[2-(3,4-difluorophenyl)-2-phenylethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2-(3,4-difluorophenyl)-2-phenylethylidene]hydroxylamine (CID 140984238) is (NE)-N-[2-(3,4-difluorophenyl)-2-phenylethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2-(3,4-difluorophenyl)-2-phenylethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2-(3,4-difluorophenyl)-2-phenylethylidene]hydroxylamine is O/N=C/C(c1ccccc1)c1ccc(F)c(F)c1.
What is the InChIKey of (NE)-N-[2-(3,4-difluorophenyl)-2-phenylethylidene]hydroxylamine?
The InChIKey is GRHTWRNSRXEYDI-RQZCQDPDSA-N. The full InChI is InChI=1S/C14H11F2NO/c15-13-7-6-11(8-14(13)16)12(9-17-18)10-4-2-1-3-5-10/h1-9,12,18H/b17-9+.
What are the key properties of (NE)-N-[2-(3,4-difluorophenyl)-2-phenylethylidene]hydroxylamine?
(NE)-N-[2-(3,4-difluorophenyl)-2-phenylethylidene]hydroxylamine has a molecular weight of 247.24 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2-(3,4-difluorophenyl)-2-phenylethylidene]hydroxylamine is sourced from PubChem (CID 140984238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).