(1Z)-N,2-bis(4-fluorophenyl)-2-oxoethanehydrazonoyl chloride

C14H9ClF2N2O — CID 138391833

IUPAC(1Z)-N,2-bis(4-fluorophenyl)-2-oxoethanehydrazonoyl chloride
SMILESO=C(/C(Cl)=N/Nc1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C14H9ClF2N2O/c15-14(13(20)9-1-3-10(16)4-2-9)19-18-12-7-5-11(17)6-8-12/h1-8,18H/b19-14-
InChIKeyCLQWTJREUZNBDX-RGEXLXHISA-N
MW294.69 g/mol
LogP3.81
Rot. Bonds4

About (1Z)-N,2-bis(4-fluorophenyl)-2-oxoethanehydrazonoyl chloride

(1Z)-N,2-bis(4-fluorophenyl)-2-oxoethanehydrazonoyl chloride (PubChem CID 138391833) has the molecular formula C14H9ClF2N2O and a molecular weight of 294.69 g/mol. Its IUPAC name is (1Z)-N,2-bis(4-fluorophenyl)-2-oxoethanehydrazonoyl chloride.

Molecular Properties

Compound Name(1Z)-N,2-bis(4-fluorophenyl)-2-oxoethanehydrazonoyl chloride
PubChem CID138391833
Molecular FormulaC14H9ClF2N2O
Molecular Weight294.69 g/mol
Exact Mass294.04
IUPAC Name(1Z)-N,2-bis(4-fluorophenyl)-2-oxoethanehydrazonoyl chloride
SMILESO=C(/C(Cl)=N/Nc1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C14H9ClF2N2O/c15-14(13(20)9-1-3-10(16)4-2-9)19-18-12-7-5-11(17)6-8-12/h1-8,18H/b19-14-
InChIKeyCLQWTJREUZNBDX-RGEXLXHISA-N
XLogP3.81
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.69
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)-2-oxoacetyl chloride
CID 20638620
(2E,3E)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)hydrazinylidene]-3-hydrazinylidenepropan-1-one
CID 96890730
4-[(2Z)-2-[1-(4-fluorophenyl)ethylidene]hydrazinyl]benzoate
CID 7761403
(2E)-2-[(4-fluorophenyl)hydrazinylidene]propanoic acid
CID 156507863
(2Z)-2-[(4-fluorophenyl)hydrazinylidene]propanal
CID 86614651
(1Z)-2-(4-chloroanilino)-N-(4-chlorophenyl)-2-oxoethanehydrazonoyl chloride
CID 15626985
N-(4-bromophenyl)-2-oxopropanehydrazonoyl chloride
CID 2771519
2-[(4-fluorophenyl)hydrazinylidene]propanedinitrile
CID 832904
(1E)-N-(4-methylphenyl)-2-oxo-2-thiophen-2-ylethanehydrazonoyl chloride
CID 10956844
3-[2-(4-fluorophenyl)hydrazinyl]-2-(phenylhydrazinylidene)propanoic acid
CID 141384701
2-chloro-2-(1,3-diazinan-2-ylidene)-1-(4-fluorophenyl)ethanone
CID 10848582
N-(4-carbamoylphenyl)-N'-(4-fluorophenyl)oxamide
CID 45001370

Frequently Asked Questions

What is the IUPAC name of (1Z)-N,2-bis(4-fluorophenyl)-2-oxoethanehydrazonoyl chloride?
The IUPAC name of (1Z)-N,2-bis(4-fluorophenyl)-2-oxoethanehydrazonoyl chloride (CID 138391833) is (1Z)-N,2-bis(4-fluorophenyl)-2-oxoethanehydrazonoyl chloride.
What is the SMILES notation for (1Z)-N,2-bis(4-fluorophenyl)-2-oxoethanehydrazonoyl chloride?
The canonical SMILES for (1Z)-N,2-bis(4-fluorophenyl)-2-oxoethanehydrazonoyl chloride is O=C(/C(Cl)=N/Nc1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of (1Z)-N,2-bis(4-fluorophenyl)-2-oxoethanehydrazonoyl chloride?
The InChIKey is CLQWTJREUZNBDX-RGEXLXHISA-N. The full InChI is InChI=1S/C14H9ClF2N2O/c15-14(13(20)9-1-3-10(16)4-2-9)19-18-12-7-5-11(17)6-8-12/h1-8,18H/b19-14-.
What are the key properties of (1Z)-N,2-bis(4-fluorophenyl)-2-oxoethanehydrazonoyl chloride?
(1Z)-N,2-bis(4-fluorophenyl)-2-oxoethanehydrazonoyl chloride has a molecular weight of 294.69 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N,2-bis(4-fluorophenyl)-2-oxoethanehydrazonoyl chloride is sourced from PubChem (CID 138391833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).