[1-(3-chloro-2-fluorophenyl)-4-cyclohexylbutan-2-yl]hydrazine

C16H24ClFN2 — CID 102868743

IUPAC[1-(3-chloro-2-fluorophenyl)-4-cyclohexylbutan-2-yl]hydrazine
SMILESNNC(CCC1CCCCC1)Cc1cccc(Cl)c1F
InChIInChI=1S/C16H24ClFN2/c17-15-8-4-7-13(16(15)18)11-14(20-19)10-9-12-5-2-1-3-6-12/h4,7-8,12,14,20H,1-3,5-6,9-11,19H2
InChIKeyYGSISYMGEUVGBD-UHFFFAOYSA-N
MW298.83 g/mol
LogP4.21
Rot. Bonds6

About [1-(3-chloro-2-fluorophenyl)-4-cyclohexylbutan-2-yl]hydrazine

[1-(3-chloro-2-fluorophenyl)-4-cyclohexylbutan-2-yl]hydrazine (PubChem CID 102868743) has the molecular formula C16H24ClFN2 and a molecular weight of 298.83 g/mol. Its IUPAC name is [1-(3-chloro-2-fluorophenyl)-4-cyclohexylbutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-chloro-2-fluorophenyl)-4-cyclohexylbutan-2-yl]hydrazine
PubChem CID102868743
Molecular FormulaC16H24ClFN2
Molecular Weight298.83 g/mol
Exact Mass298.16
IUPAC Name[1-(3-chloro-2-fluorophenyl)-4-cyclohexylbutan-2-yl]hydrazine
SMILESNNC(CCC1CCCCC1)Cc1cccc(Cl)c1F
InChIInChI=1S/C16H24ClFN2/c17-15-8-4-7-13(16(15)18)11-14(20-19)10-9-12-5-2-1-3-6-12/h4,7-8,12,14,20H,1-3,5-6,9-11,19H2
InChIKeyYGSISYMGEUVGBD-UHFFFAOYSA-N
XLogP4.21
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.83
LogP ≤ 54.21
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

[2-(3-chloro-2-fluorophenyl)-1-cycloheptylethyl]hydrazine
CID 105264361
[1-(3-chloro-2-fluorophenyl)-3-(2-chlorophenyl)propan-2-yl]hydrazine
CID 105264393
[4-cyclohexyl-1-(2,4-difluorophenyl)butan-2-yl]hydrazine
CID 105291836
4-cyclopentyl-1-(2,3-dichlorophenyl)-N-methylbutan-2-amine
CID 107312312
[1-cyclohexyl-3-(2,3-difluorophenyl)propan-2-yl]hydrazine
CID 105296152
[4-cyclohexyl-1-(4-fluoro-2-methylphenyl)butan-2-yl]hydrazine
CID 105340839
[1-(3-chloro-2-fluorophenyl)-5-methoxypentan-2-yl]hydrazine
CID 105264431
[2-(3-chloro-2-fluorophenyl)-1-cyclopropylethyl]hydrazine
CID 105264277
1-(3-chloro-2-fluorophenyl)-3-cyclobutylpropan-2-amine
CID 82806050
[1-(3-chloro-2-fluorophenyl)-3-cyclopropylbutan-2-yl]hydrazine
CID 102868874
1-(3-chloro-2-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 82805857
[1-(3-chloro-2-fluorophenyl)-3-(3,4-dichlorophenyl)propan-2-yl]hydrazine
CID 105264302

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-2-fluorophenyl)-4-cyclohexylbutan-2-yl]hydrazine?
The IUPAC name of [1-(3-chloro-2-fluorophenyl)-4-cyclohexylbutan-2-yl]hydrazine (CID 102868743) is [1-(3-chloro-2-fluorophenyl)-4-cyclohexylbutan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-chloro-2-fluorophenyl)-4-cyclohexylbutan-2-yl]hydrazine?
The canonical SMILES for [1-(3-chloro-2-fluorophenyl)-4-cyclohexylbutan-2-yl]hydrazine is NNC(CCC1CCCCC1)Cc1cccc(Cl)c1F.
What is the InChIKey of [1-(3-chloro-2-fluorophenyl)-4-cyclohexylbutan-2-yl]hydrazine?
The InChIKey is YGSISYMGEUVGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClFN2/c17-15-8-4-7-13(16(15)18)11-14(20-19)10-9-12-5-2-1-3-6-12/h4,7-8,12,14,20H,1-3,5-6,9-11,19H2.
What are the key properties of [1-(3-chloro-2-fluorophenyl)-4-cyclohexylbutan-2-yl]hydrazine?
[1-(3-chloro-2-fluorophenyl)-4-cyclohexylbutan-2-yl]hydrazine has a molecular weight of 298.83 g/mol, XLogP of 4.21, 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)-4-cyclohexylbutan-2-yl]hydrazine is sourced from PubChem (CID 102868743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).