1-chloro-2-[(ethoxyhydrazinylidene)methyl]-3-fluorobenzene

C9H10ClFN2O — CID 142736324

IUPAC1-chloro-2-[(ethoxyhydrazinylidene)methyl]-3-fluorobenzene
SMILESCCONN=Cc1c(F)cccc1Cl
InChIInChI=1S/C9H10ClFN2O/c1-2-14-13-12-6-7-8(10)4-3-5-9(7)11/h3-6,13H,2H2,1H3
InChIKeyYBVILOJWQLBTEN-UHFFFAOYSA-N
MW216.64 g/mol
LogP2.35
Rot. Bonds4

About 1-chloro-2-[(ethoxyhydrazinylidene)methyl]-3-fluorobenzene

1-chloro-2-[(ethoxyhydrazinylidene)methyl]-3-fluorobenzene (PubChem CID 142736324) has the molecular formula C9H10ClFN2O and a molecular weight of 216.64 g/mol. Its IUPAC name is 1-chloro-2-[(ethoxyhydrazinylidene)methyl]-3-fluorobenzene.

Molecular Properties

Compound Name1-chloro-2-[(ethoxyhydrazinylidene)methyl]-3-fluorobenzene
PubChem CID142736324
Molecular FormulaC9H10ClFN2O
Molecular Weight216.64 g/mol
Exact Mass216.05
IUPAC Name1-chloro-2-[(ethoxyhydrazinylidene)methyl]-3-fluorobenzene
SMILESCCONN=Cc1c(F)cccc1Cl
InChIInChI=1S/C9H10ClFN2O/c1-2-14-13-12-6-7-8(10)4-3-5-9(7)11/h3-6,13H,2H2,1H3
InChIKeyYBVILOJWQLBTEN-UHFFFAOYSA-N
XLogP2.35
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.64
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_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 1-chloro-2-[(ethoxyhydrazinylidene)methyl]-3-fluorobenzene?
The IUPAC name of 1-chloro-2-[(ethoxyhydrazinylidene)methyl]-3-fluorobenzene (CID 142736324) is 1-chloro-2-[(ethoxyhydrazinylidene)methyl]-3-fluorobenzene.
What is the SMILES notation for 1-chloro-2-[(ethoxyhydrazinylidene)methyl]-3-fluorobenzene?
The canonical SMILES for 1-chloro-2-[(ethoxyhydrazinylidene)methyl]-3-fluorobenzene is CCONN=Cc1c(F)cccc1Cl.
What is the InChIKey of 1-chloro-2-[(ethoxyhydrazinylidene)methyl]-3-fluorobenzene?
The InChIKey is YBVILOJWQLBTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFN2O/c1-2-14-13-12-6-7-8(10)4-3-5-9(7)11/h3-6,13H,2H2,1H3.
What are the key properties of 1-chloro-2-[(ethoxyhydrazinylidene)methyl]-3-fluorobenzene?
1-chloro-2-[(ethoxyhydrazinylidene)methyl]-3-fluorobenzene has a molecular weight of 216.64 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[(ethoxyhydrazinylidene)methyl]-3-fluorobenzene is sourced from PubChem (CID 142736324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).