[1-(2-chlorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-yl]hydrazine

C17H20ClFN2 — CID 105223616

IUPAC[1-(2-chlorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-yl]hydrazine
SMILESCC(C)(c1ccc(F)cc1)C(Cc1ccccc1Cl)NN
InChIInChI=1S/C17H20ClFN2/c1-17(2,13-7-9-14(19)10-8-13)16(21-20)11-12-5-3-4-6-15(12)18/h3-10,16,21H,11,20H2,1-2H3
InChIKeyASSVKMNQFLTNKD-UHFFFAOYSA-N
MW306.81 g/mol
LogP3.83
Rot. Bonds5

About [1-(2-chlorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-yl]hydrazine

[1-(2-chlorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-yl]hydrazine (PubChem CID 105223616) has the molecular formula C17H20ClFN2 and a molecular weight of 306.81 g/mol. Its IUPAC name is [1-(2-chlorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-chlorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-yl]hydrazine
PubChem CID105223616
Molecular FormulaC17H20ClFN2
Molecular Weight306.81 g/mol
Exact Mass306.13
IUPAC Name[1-(2-chlorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-yl]hydrazine
SMILESCC(C)(c1ccc(F)cc1)C(Cc1ccccc1Cl)NN
InChIInChI=1S/C17H20ClFN2/c1-17(2,13-7-9-14(19)10-8-13)16(21-20)11-12-5-3-4-6-15(12)18/h3-10,16,21H,11,20H2,1-2H3
InChIKeyASSVKMNQFLTNKD-UHFFFAOYSA-N
XLogP3.83
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 53.83
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-(4-fluoro-2-methylphenyl)-3-methyl-3-phenylbutan-2-yl]hydrazine
CID 105216447
1-(2-bromophenyl)-3-(4-fluorophenyl)-N,3-dimethylbutan-2-amine
CID 64768760
[1-(3-chloro-4-fluorophenyl)-3-methyl-3-phenylbutan-2-yl]hydrazine
CID 103043854
[1-(2-chlorophenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-yl]hydrazine
CID 105241133
(3-methyl-1,3-diphenylbutan-2-yl)hydrazine
CID 105216261
[1-(3-chloro-2-fluorophenyl)-3-(2-chlorophenyl)propan-2-yl]hydrazine
CID 105264393
1-(3-chloro-2-fluorophenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine
CID 102867916
3-(2-chlorophenyl)-1,1,1-trifluoro-N-methylpropan-2-amine
CID 66467241
3-(4-fluorophenyl)-3-methyl-1-(2-methylphenyl)butan-2-amine
CID 64769730
1-(2,6-dichlorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol
CID 64769319
[1-cyclobutyl-3-(4-fluorophenyl)-3-methylbutan-2-yl]hydrazine
CID 105223629
1-(3-chloro-2-fluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine
CID 102857757

Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-yl]hydrazine?
The IUPAC name of [1-(2-chlorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-yl]hydrazine (CID 105223616) is [1-(2-chlorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-chlorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-yl]hydrazine?
The canonical SMILES for [1-(2-chlorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-yl]hydrazine is CC(C)(c1ccc(F)cc1)C(Cc1ccccc1Cl)NN.
What is the InChIKey of [1-(2-chlorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-yl]hydrazine?
The InChIKey is ASSVKMNQFLTNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN2/c1-17(2,13-7-9-14(19)10-8-13)16(21-20)11-12-5-3-4-6-15(12)18/h3-10,16,21H,11,20H2,1-2H3.
What are the key properties of [1-(2-chlorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-yl]hydrazine?
[1-(2-chlorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-yl]hydrazine has a molecular weight of 306.81 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-yl]hydrazine is sourced from PubChem (CID 105223616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).