[1-(3-bromo-2,6-difluorophenyl)-4-cyclopentylbutan-2-yl]hydrazine

C15H21BrF2N2 — CID 106271862

IUPAC[1-(3-bromo-2,6-difluorophenyl)-4-cyclopentylbutan-2-yl]hydrazine
SMILESNNC(CCC1CCCC1)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C15H21BrF2N2/c16-13-7-8-14(17)12(15(13)18)9-11(20-19)6-5-10-3-1-2-4-10/h7-8,10-11,20H,1-6,9,19H2
InChIKeyAKKZSTZUFRVMBD-UHFFFAOYSA-N
MW347.25 g/mol
LogP4.07
Rot. Bonds6

About [1-(3-bromo-2,6-difluorophenyl)-4-cyclopentylbutan-2-yl]hydrazine

[1-(3-bromo-2,6-difluorophenyl)-4-cyclopentylbutan-2-yl]hydrazine (PubChem CID 106271862) has the molecular formula C15H21BrF2N2 and a molecular weight of 347.25 g/mol. Its IUPAC name is [1-(3-bromo-2,6-difluorophenyl)-4-cyclopentylbutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromo-2,6-difluorophenyl)-4-cyclopentylbutan-2-yl]hydrazine
PubChem CID106271862
Molecular FormulaC15H21BrF2N2
Molecular Weight347.25 g/mol
Exact Mass346.09
IUPAC Name[1-(3-bromo-2,6-difluorophenyl)-4-cyclopentylbutan-2-yl]hydrazine
SMILESNNC(CCC1CCCC1)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C15H21BrF2N2/c16-13-7-8-14(17)12(15(13)18)9-11(20-19)6-5-10-3-1-2-4-10/h7-8,10-11,20H,1-6,9,19H2
InChIKeyAKKZSTZUFRVMBD-UHFFFAOYSA-N
XLogP4.07
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.25
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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)-5-chloropentan-2-yl]hydrazine
CID 106271023
[1-(3-bromo-2,6-difluorophenyl)-3-(4-fluorophenyl)propan-2-yl]hydrazine
CID 106270733
[1-(3-bromo-2,6-difluorophenyl)-3-phenoxypropan-2-yl]hydrazine
CID 106270864
N-[(3-bromo-2,6-difluorophenyl)methyl]-3-cyclopentylpropan-1-amine
CID 106263912
[4-cyclohexyl-1-(2,4-difluorophenyl)butan-2-yl]hydrazine
CID 105291836
[1-(3-bromo-2,6-difluorophenyl)-3-propoxypropan-2-yl]hydrazine
CID 106270835
[2-(3-bromo-2,6-difluorophenyl)-1-(3-tricyclo[3.2.1.02,4]octanyl)ethyl]hydrazine
CID 106271705
[1-(3-chloro-2-fluorophenyl)-4-cyclohexylbutan-2-yl]hydrazine
CID 102868743
[1-(3-bromo-2,6-difluorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine
CID 106271041
[1-(4-chlorophenyl)-4-cyclopropylbutan-2-yl]hydrazine
CID 105197715
[1-(3-bromo-2,6-difluorophenyl)-3-methylbutan-2-yl]hydrazine
CID 106270740
[3-(3-bromo-2,6-difluorophenyl)-1,1-dimethoxypropan-2-yl]hydrazine
CID 106271065

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-2,6-difluorophenyl)-4-cyclopentylbutan-2-yl]hydrazine?
The IUPAC name of [1-(3-bromo-2,6-difluorophenyl)-4-cyclopentylbutan-2-yl]hydrazine (CID 106271862) is [1-(3-bromo-2,6-difluorophenyl)-4-cyclopentylbutan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-bromo-2,6-difluorophenyl)-4-cyclopentylbutan-2-yl]hydrazine?
The canonical SMILES for [1-(3-bromo-2,6-difluorophenyl)-4-cyclopentylbutan-2-yl]hydrazine is NNC(CCC1CCCC1)Cc1c(F)ccc(Br)c1F.
What is the InChIKey of [1-(3-bromo-2,6-difluorophenyl)-4-cyclopentylbutan-2-yl]hydrazine?
The InChIKey is AKKZSTZUFRVMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrF2N2/c16-13-7-8-14(17)12(15(13)18)9-11(20-19)6-5-10-3-1-2-4-10/h7-8,10-11,20H,1-6,9,19H2.
What are the key properties of [1-(3-bromo-2,6-difluorophenyl)-4-cyclopentylbutan-2-yl]hydrazine?
[1-(3-bromo-2,6-difluorophenyl)-4-cyclopentylbutan-2-yl]hydrazine has a molecular weight of 347.25 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-2,6-difluorophenyl)-4-cyclopentylbutan-2-yl]hydrazine is sourced from PubChem (CID 106271862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).