[1-(5-chloro-2-fluorophenyl)-4-phenylbutyl]hydrazine

C16H18ClFN2 — CID 105279983

IUPAC[1-(5-chloro-2-fluorophenyl)-4-phenylbutyl]hydrazine
SMILESNNC(CCCc1ccccc1)c1cc(Cl)ccc1F
InChIInChI=1S/C16H18ClFN2/c17-13-9-10-15(18)14(11-13)16(20-19)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11,16,20H,4,7-8,19H2
InChIKeyAOVPYKPHUWDPFI-UHFFFAOYSA-N
MW292.79 g/mol
LogP4.01
Rot. Bonds6

About [1-(5-chloro-2-fluorophenyl)-4-phenylbutyl]hydrazine

[1-(5-chloro-2-fluorophenyl)-4-phenylbutyl]hydrazine (PubChem CID 105279983) has the molecular formula C16H18ClFN2 and a molecular weight of 292.79 g/mol. Its IUPAC name is [1-(5-chloro-2-fluorophenyl)-4-phenylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(5-chloro-2-fluorophenyl)-4-phenylbutyl]hydrazine
PubChem CID105279983
Molecular FormulaC16H18ClFN2
Molecular Weight292.79 g/mol
Exact Mass292.11
IUPAC Name[1-(5-chloro-2-fluorophenyl)-4-phenylbutyl]hydrazine
SMILESNNC(CCCc1ccccc1)c1cc(Cl)ccc1F
InChIInChI=1S/C16H18ClFN2/c17-13-9-10-15(18)14(11-13)16(20-19)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11,16,20H,4,7-8,19H2
InChIKeyAOVPYKPHUWDPFI-UHFFFAOYSA-N
XLogP4.01
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 54.01
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-(2,5-dichlorophenyl)-4-phenylbutyl]hydrazine
CID 105299790
[1-(2-fluoro-4-methylphenyl)-4-phenylbutyl]hydrazine
CID 105299781
[1-(2,4-dichlorophenyl)-3-phenylpropyl]hydrazine
CID 105285831
1-(5-chloro-2-fluorophenyl)hex-5-enylhydrazine
CID 105280013
[1-(4-fluoro-3-methylphenyl)-4-phenylbutyl]hydrazine
CID 105203971
[1-(2,4-difluoro-5-methylphenyl)-3-phenylpropyl]hydrazine
CID 105285916
[1-(4-chloro-2-methylphenyl)-3-phenylpropyl]hydrazine
CID 114028417
[1-(5-chloro-2-fluorophenyl)-4-methylpent-4-enyl]hydrazine
CID 105280086
[1-(5-chloro-2-fluorophenyl)-3-cyclopropylpropyl]hydrazine
CID 105280162
[1-(2-chloro-4-fluorophenyl)-3-phenylpropyl]hydrazine
CID 105215295
1-(4-chloro-2,5-difluorophenyl)-4-phenylbutan-1-ol
CID 115791241
1-(5-chloro-2-methylphenyl)-4-phenylbutan-1-amine
CID 115849493

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-2-fluorophenyl)-4-phenylbutyl]hydrazine?
The IUPAC name of [1-(5-chloro-2-fluorophenyl)-4-phenylbutyl]hydrazine (CID 105279983) is [1-(5-chloro-2-fluorophenyl)-4-phenylbutyl]hydrazine.
What is the SMILES notation for [1-(5-chloro-2-fluorophenyl)-4-phenylbutyl]hydrazine?
The canonical SMILES for [1-(5-chloro-2-fluorophenyl)-4-phenylbutyl]hydrazine is NNC(CCCc1ccccc1)c1cc(Cl)ccc1F.
What is the InChIKey of [1-(5-chloro-2-fluorophenyl)-4-phenylbutyl]hydrazine?
The InChIKey is AOVPYKPHUWDPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2/c17-13-9-10-15(18)14(11-13)16(20-19)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11,16,20H,4,7-8,19H2.
What are the key properties of [1-(5-chloro-2-fluorophenyl)-4-phenylbutyl]hydrazine?
[1-(5-chloro-2-fluorophenyl)-4-phenylbutyl]hydrazine has a molecular weight of 292.79 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-2-fluorophenyl)-4-phenylbutyl]hydrazine is sourced from PubChem (CID 105279983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).