[1-(3-fluorophenyl)-3,3-dimethylpentan-2-yl]hydrazine

C13H21FN2 — CID 105286476

IUPAC[1-(3-fluorophenyl)-3,3-dimethylpentan-2-yl]hydrazine
SMILESCCC(C)(C)C(Cc1cccc(F)c1)NN
InChIInChI=1S/C13H21FN2/c1-4-13(2,3)12(16-15)9-10-6-5-7-11(14)8-10/h5-8,12,16H,4,9,15H2,1-3H3
InChIKeyPQNMCVLQWFEMHA-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.64
Rot. Bonds5

About [1-(3-fluorophenyl)-3,3-dimethylpentan-2-yl]hydrazine

[1-(3-fluorophenyl)-3,3-dimethylpentan-2-yl]hydrazine (PubChem CID 105286476) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is [1-(3-fluorophenyl)-3,3-dimethylpentan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-fluorophenyl)-3,3-dimethylpentan-2-yl]hydrazine
PubChem CID105286476
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC Name[1-(3-fluorophenyl)-3,3-dimethylpentan-2-yl]hydrazine
SMILESCCC(C)(C)C(Cc1cccc(F)c1)NN
InChIInChI=1S/C13H21FN2/c1-4-13(2,3)12(16-15)9-10-6-5-7-11(14)8-10/h5-8,12,16H,4,9,15H2,1-3H3
InChIKeyPQNMCVLQWFEMHA-UHFFFAOYSA-N
XLogP2.64
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.64
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-(3-bromo-5-fluorophenyl)-3,3-dimethylpentan-2-yl]hydrazine
CID 105324889
[1-(3-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine
CID 105239805
[1-(3-fluorophenyl)-3-methylpentan-2-yl]hydrazine
CID 105204829
1-(2,2-dibromoethyl)-3-fluorobenzene
CID 89414969
3-ethoxy-N-ethyl-1-(3-fluorophenyl)-3-methylpentan-2-amine
CID 116759095
2-N,3-N,3-N-triethyl-1-(3-fluorophenyl)-3-methylpentane-2,3-diamine
CID 79058314
1-(2-bromo-3,3-dimethylbutyl)-3-fluorobenzene
CID 63543994
[1-(2,6-dichlorophenyl)-3,3-dimethylpentan-2-yl]hydrazine
CID 105293201
[1-(3-fluorophenyl)-3-propylhexan-2-yl]hydrazine
CID 105286352
[1-(3-fluorophenyl)-3-methylhexan-2-yl]hydrazine
CID 105286424
3-(3-fluorophenyl)-2-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105244646
[1-(5-chloro-2-fluorophenyl)-3,3-dimethylpentan-2-yl]hydrazine
CID 103053845

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluorophenyl)-3,3-dimethylpentan-2-yl]hydrazine?
The IUPAC name of [1-(3-fluorophenyl)-3,3-dimethylpentan-2-yl]hydrazine (CID 105286476) is [1-(3-fluorophenyl)-3,3-dimethylpentan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-fluorophenyl)-3,3-dimethylpentan-2-yl]hydrazine?
The canonical SMILES for [1-(3-fluorophenyl)-3,3-dimethylpentan-2-yl]hydrazine is CCC(C)(C)C(Cc1cccc(F)c1)NN.
What is the InChIKey of [1-(3-fluorophenyl)-3,3-dimethylpentan-2-yl]hydrazine?
The InChIKey is PQNMCVLQWFEMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-4-13(2,3)12(16-15)9-10-6-5-7-11(14)8-10/h5-8,12,16H,4,9,15H2,1-3H3.
What are the key properties of [1-(3-fluorophenyl)-3,3-dimethylpentan-2-yl]hydrazine?
[1-(3-fluorophenyl)-3,3-dimethylpentan-2-yl]hydrazine has a molecular weight of 224.32 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluorophenyl)-3,3-dimethylpentan-2-yl]hydrazine is sourced from PubChem (CID 105286476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).