[1-(3-bromo-2,6-difluorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine

C15H22BrF2N3 — CID 106271041

IUPAC[1-(3-bromo-2,6-difluorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine
SMILESCC(C)(C(Cc1c(F)ccc(Br)c1F)NN)N1CCCC1
InChIInChI=1S/C15H22BrF2N3/c1-15(2,21-7-3-4-8-21)13(20-19)9-10-12(17)6-5-11(16)14(10)18/h5-6,13,20H,3-4,7-9,19H2,1-2H3
InChIKeySRXQLUBQCATKAZ-UHFFFAOYSA-N
MW362.26 g/mol
LogP2.98
Rot. Bonds5

About [1-(3-bromo-2,6-difluorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine

[1-(3-bromo-2,6-difluorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine (PubChem CID 106271041) has the molecular formula C15H22BrF2N3 and a molecular weight of 362.26 g/mol. Its IUPAC name is [1-(3-bromo-2,6-difluorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromo-2,6-difluorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine
PubChem CID106271041
Molecular FormulaC15H22BrF2N3
Molecular Weight362.26 g/mol
Exact Mass361.10
IUPAC Name[1-(3-bromo-2,6-difluorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine
SMILESCC(C)(C(Cc1c(F)ccc(Br)c1F)NN)N1CCCC1
InChIInChI=1S/C15H22BrF2N3/c1-15(2,21-7-3-4-8-21)13(20-19)9-10-12(17)6-5-11(16)14(10)18/h5-6,13,20H,3-4,7-9,19H2,1-2H3
InChIKeySRXQLUBQCATKAZ-UHFFFAOYSA-N
XLogP2.98
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(3-bromo-2,6-difluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 106271060
[1-(2-bromophenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine
CID 105239989
1-(3-bromo-2,6-difluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine
CID 106267860
[1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine
CID 103043966
[1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine
CID 105239714
1-(3-bromo-4-fluorophenyl)-N,3-dimethyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79055889
[1-(3-bromo-2,6-difluorophenyl)-3-methylbutan-2-yl]hydrazine
CID 106270740
[1-(4-fluoro-2-methylphenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine
CID 105239692
[3-(azepan-1-yl)-1-(4-iodophenyl)-3-methylbutan-2-yl]hydrazine
CID 105240327
[1-(3-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine
CID 105239805
[1-(3-bromo-2,6-difluorophenyl)-4-cyclopentylbutan-2-yl]hydrazine
CID 106271862
[1-(5-fluoro-2-methylphenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine
CID 105377853

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-2,6-difluorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine?
The IUPAC name of [1-(3-bromo-2,6-difluorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine (CID 106271041) is [1-(3-bromo-2,6-difluorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-bromo-2,6-difluorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine?
The canonical SMILES for [1-(3-bromo-2,6-difluorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine is CC(C)(C(Cc1c(F)ccc(Br)c1F)NN)N1CCCC1.
What is the InChIKey of [1-(3-bromo-2,6-difluorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine?
The InChIKey is SRXQLUBQCATKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrF2N3/c1-15(2,21-7-3-4-8-21)13(20-19)9-10-12(17)6-5-11(16)14(10)18/h5-6,13,20H,3-4,7-9,19H2,1-2H3.
What are the key properties of [1-(3-bromo-2,6-difluorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine?
[1-(3-bromo-2,6-difluorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine has a molecular weight of 362.26 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-2,6-difluorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine is sourced from PubChem (CID 106271041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).