[1-(3-chloro-2-fluorophenyl)-3-ethylpentyl]hydrazine

C13H20ClFN2 — CID 105223483

IUPAC[1-(3-chloro-2-fluorophenyl)-3-ethylpentyl]hydrazine
SMILESCCC(CC)CC(NN)c1cccc(Cl)c1F
InChIInChI=1S/C13H20ClFN2/c1-3-9(4-2)8-12(17-16)10-6-5-7-11(14)13(10)15/h5-7,9,12,17H,3-4,8,16H2,1-2H3
InChIKeyXADVXDDWTXVNKT-UHFFFAOYSA-N
MW258.77 g/mol
LogP3.81
Rot. Bonds6

About [1-(3-chloro-2-fluorophenyl)-3-ethylpentyl]hydrazine

[1-(3-chloro-2-fluorophenyl)-3-ethylpentyl]hydrazine (PubChem CID 105223483) has the molecular formula C13H20ClFN2 and a molecular weight of 258.77 g/mol. Its IUPAC name is [1-(3-chloro-2-fluorophenyl)-3-ethylpentyl]hydrazine.

Molecular Properties

Compound Name[1-(3-chloro-2-fluorophenyl)-3-ethylpentyl]hydrazine
PubChem CID105223483
Molecular FormulaC13H20ClFN2
Molecular Weight258.77 g/mol
Exact Mass258.13
IUPAC Name[1-(3-chloro-2-fluorophenyl)-3-ethylpentyl]hydrazine
SMILESCCC(CC)CC(NN)c1cccc(Cl)c1F
InChIInChI=1S/C13H20ClFN2/c1-3-9(4-2)8-12(17-16)10-6-5-7-11(14)13(10)15/h5-7,9,12,17H,3-4,8,16H2,1-2H3
InChIKeyXADVXDDWTXVNKT-UHFFFAOYSA-N
XLogP3.81
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-(2-chloro-3-fluorophenyl)-3-ethylpentyl]hydrazine
CID 105331064
[1-(3-chloro-2-fluorophenyl)-4-methylpent-4-enyl]hydrazine
CID 105223337
[2-(3-chloro-2-fluorophenyl)-1-(2,3-difluorophenyl)ethyl]hydrazine
CID 105264357
1-(3-chloro-2-fluorophenyl)-N-prop-2-ynylpropan-1-amine
CID 104705410
[1-(3-chloro-2-fluorophenyl)-2-pyridin-4-ylethyl]hydrazine
CID 105223440
[1-(3-chloro-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethyl]hydrazine
CID 105223470
[1-(3-chloro-2-fluorophenyl)-2-(2,4-dichlorophenyl)ethyl]hydrazine
CID 105223436
1-(3-chloro-2-methylphenyl)propylhydrazine
CID 107103563
(2R)-2-[[(1S)-1-(3-chloro-2-fluorophenyl)propyl]amino]propan-1-ol
CID 99636952
2-(3-chloro-2-fluorophenyl)-2-(methylamino)ethanol
CID 112704196
(2R)-2-(3-chloro-2-fluorophenyl)-2-(methylamino)ethanol
CID 130706318
[1-(2,3-dichlorophenyl)-3-methylbutyl]hydrazine
CID 105198986

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-2-fluorophenyl)-3-ethylpentyl]hydrazine?
The IUPAC name of [1-(3-chloro-2-fluorophenyl)-3-ethylpentyl]hydrazine (CID 105223483) is [1-(3-chloro-2-fluorophenyl)-3-ethylpentyl]hydrazine.
What is the SMILES notation for [1-(3-chloro-2-fluorophenyl)-3-ethylpentyl]hydrazine?
The canonical SMILES for [1-(3-chloro-2-fluorophenyl)-3-ethylpentyl]hydrazine is CCC(CC)CC(NN)c1cccc(Cl)c1F.
What is the InChIKey of [1-(3-chloro-2-fluorophenyl)-3-ethylpentyl]hydrazine?
The InChIKey is XADVXDDWTXVNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClFN2/c1-3-9(4-2)8-12(17-16)10-6-5-7-11(14)13(10)15/h5-7,9,12,17H,3-4,8,16H2,1-2H3.
What are the key properties of [1-(3-chloro-2-fluorophenyl)-3-ethylpentyl]hydrazine?
[1-(3-chloro-2-fluorophenyl)-3-ethylpentyl]hydrazine has a molecular weight of 258.77 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-2-fluorophenyl)-3-ethylpentyl]hydrazine is sourced from PubChem (CID 105223483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).