2,2-difluoroethyl (1Z)-4-ethyl-N-methylidenebenzenecarbohydrazonate

C12H14F2N2O — CID 145238383

IUPAC2,2-difluoroethyl (1Z)-4-ethyl-N-methylidenebenzenecarbohydrazonate
SMILESC=N/N=C(\OCC(F)F)c1ccc(CC)cc1
InChIInChI=1S/C12H14F2N2O/c1-3-9-4-6-10(7-5-9)12(16-15-2)17-8-11(13)14/h4-7,11H,2-3,8H2,1H3/b16-12-
InChIKeyPUZMGDXDJPODHU-VBKFSLOCSA-N
MW240.25 g/mol
LogP2.89
Rot. Bonds5

About 2,2-difluoroethyl (1Z)-4-ethyl-N-methylidenebenzenecarbohydrazonate

2,2-difluoroethyl (1Z)-4-ethyl-N-methylidenebenzenecarbohydrazonate (PubChem CID 145238383) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is 2,2-difluoroethyl (1Z)-4-ethyl-N-methylidenebenzenecarbohydrazonate.

Molecular Properties

Compound Name2,2-difluoroethyl (1Z)-4-ethyl-N-methylidenebenzenecarbohydrazonate
PubChem CID145238383
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name2,2-difluoroethyl (1Z)-4-ethyl-N-methylidenebenzenecarbohydrazonate
SMILESC=N/N=C(\OCC(F)F)c1ccc(CC)cc1
InChIInChI=1S/C12H14F2N2O/c1-3-9-4-6-10(7-5-9)12(16-15-2)17-8-11(13)14/h4-7,11H,2-3,8H2,1H3/b16-12-
InChIKeyPUZMGDXDJPODHU-VBKFSLOCSA-N
XLogP2.89
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-Methylphenyl)oxazoline
CID 3770227
2-(4-Propylphenyl)-4,5-dihydro-1,3-oxazole
CID 12793312
2-[4-(Trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 2725909
2-(4-Butylphenyl)-4,5-dihydro-1,3-oxazole
CID 132519396
Benzenecarboximidic acid, 3-(trifluoromethyl)-, ethyl ester
CID 2730240
2-(4-Ethylphenyl)-4,5-dihydrooxazole
CID 66764190
2-(4-Decylphenyl)-4,5-dihydro-1,3-oxazole
CID 132519401
4-(Trifluoromethyl)benzylethyl ether
CID 11016877
4-(Trifluoromethyl)phenyl methanol, n-propyl ether
CID 68081808
4-(Trifluoromethyl)phenyl methanol, n-butyl ether
CID 91723335
2-(4-Pentylphenyl)-4,5-dihydro-1,3-oxazole
CID 127032080
2-(4-Hexylphenyl)-4,5-dihydro-1,3-oxazole
CID 132519397

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroethyl (1Z)-4-ethyl-N-methylidenebenzenecarbohydrazonate?
The IUPAC name of 2,2-difluoroethyl (1Z)-4-ethyl-N-methylidenebenzenecarbohydrazonate (CID 145238383) is 2,2-difluoroethyl (1Z)-4-ethyl-N-methylidenebenzenecarbohydrazonate.
What is the SMILES notation for 2,2-difluoroethyl (1Z)-4-ethyl-N-methylidenebenzenecarbohydrazonate?
The canonical SMILES for 2,2-difluoroethyl (1Z)-4-ethyl-N-methylidenebenzenecarbohydrazonate is C=N/N=C(\OCC(F)F)c1ccc(CC)cc1.
What is the InChIKey of 2,2-difluoroethyl (1Z)-4-ethyl-N-methylidenebenzenecarbohydrazonate?
The InChIKey is PUZMGDXDJPODHU-VBKFSLOCSA-N. The full InChI is InChI=1S/C12H14F2N2O/c1-3-9-4-6-10(7-5-9)12(16-15-2)17-8-11(13)14/h4-7,11H,2-3,8H2,1H3/b16-12-.
What are the key properties of 2,2-difluoroethyl (1Z)-4-ethyl-N-methylidenebenzenecarbohydrazonate?
2,2-difluoroethyl (1Z)-4-ethyl-N-methylidenebenzenecarbohydrazonate has a molecular weight of 240.25 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethyl (1Z)-4-ethyl-N-methylidenebenzenecarbohydrazonate is sourced from PubChem (CID 145238383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).