[(3-bromo-2,6-difluorophenyl)-(1-methylcyclopentyl)methyl]hydrazine

C13H17BrF2N2 — CID 106945625

IUPAC[(3-bromo-2,6-difluorophenyl)-(1-methylcyclopentyl)methyl]hydrazine
SMILESCC1(C(NN)c2c(F)ccc(Br)c2F)CCCC1
InChIInChI=1S/C13H17BrF2N2/c1-13(6-2-3-7-13)12(18-17)10-9(15)5-4-8(14)11(10)16/h4-5,12,18H,2-3,6-7,17H2,1H3
InChIKeyLMIUIOMEPSKLLX-UHFFFAOYSA-N
MW319.19 g/mol
LogP3.81
Rot. Bonds3

About [(3-bromo-2,6-difluorophenyl)-(1-methylcyclopentyl)methyl]hydrazine

[(3-bromo-2,6-difluorophenyl)-(1-methylcyclopentyl)methyl]hydrazine (PubChem CID 106945625) has the molecular formula C13H17BrF2N2 and a molecular weight of 319.19 g/mol. Its IUPAC name is [(3-bromo-2,6-difluorophenyl)-(1-methylcyclopentyl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromo-2,6-difluorophenyl)-(1-methylcyclopentyl)methyl]hydrazine
PubChem CID106945625
Molecular FormulaC13H17BrF2N2
Molecular Weight319.19 g/mol
Exact Mass318.05
IUPAC Name[(3-bromo-2,6-difluorophenyl)-(1-methylcyclopentyl)methyl]hydrazine
SMILESCC1(C(NN)c2c(F)ccc(Br)c2F)CCCC1
InChIInChI=1S/C13H17BrF2N2/c1-13(6-2-3-7-13)12(18-17)10-9(15)5-4-8(14)11(10)16/h4-5,12,18H,2-3,6-7,17H2,1H3
InChIKeyLMIUIOMEPSKLLX-UHFFFAOYSA-N
XLogP3.81
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 53.81
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)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine
CID 106945372
[(5-bromo-2-fluorophenyl)-(1-methylcyclopentyl)methyl]hydrazine
CID 105323101
[(4-chlorophenyl)-(1-methylcyclopentyl)methyl]hydrazine
CID 105281123
[(5-bromo-2-fluorophenyl)-(1-methylcyclopropyl)methyl]hydrazine
CID 105253463
[1-(3-bromo-2,6-difluorophenyl)-2,2-difluoroethyl]hydrazine
CID 106945433
1-(3-bromo-2,6-difluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine
CID 107191863
[(3-bromo-2,6-difluorophenyl)-cyclopropylmethyl]hydrazine
CID 106945257
2-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine
CID 106274248
[(2,4-difluorophenyl)-(1-methylcyclohexyl)methyl]hydrazine
CID 106831197
(3-bromo-2,6-difluorophenyl)-(4,4-dimethylcyclohexyl)methanamine
CID 106942605
1-(3-bromo-2-fluorophenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine
CID 106830781
1-[amino-(3-bromo-2,6-difluorophenyl)methyl]-N,N-diethylcyclopentan-1-amine
CID 106942748

Frequently Asked Questions

What is the IUPAC name of [(3-bromo-2,6-difluorophenyl)-(1-methylcyclopentyl)methyl]hydrazine?
The IUPAC name of [(3-bromo-2,6-difluorophenyl)-(1-methylcyclopentyl)methyl]hydrazine (CID 106945625) is [(3-bromo-2,6-difluorophenyl)-(1-methylcyclopentyl)methyl]hydrazine.
What is the SMILES notation for [(3-bromo-2,6-difluorophenyl)-(1-methylcyclopentyl)methyl]hydrazine?
The canonical SMILES for [(3-bromo-2,6-difluorophenyl)-(1-methylcyclopentyl)methyl]hydrazine is CC1(C(NN)c2c(F)ccc(Br)c2F)CCCC1.
What is the InChIKey of [(3-bromo-2,6-difluorophenyl)-(1-methylcyclopentyl)methyl]hydrazine?
The InChIKey is LMIUIOMEPSKLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrF2N2/c1-13(6-2-3-7-13)12(18-17)10-9(15)5-4-8(14)11(10)16/h4-5,12,18H,2-3,6-7,17H2,1H3.
What are the key properties of [(3-bromo-2,6-difluorophenyl)-(1-methylcyclopentyl)methyl]hydrazine?
[(3-bromo-2,6-difluorophenyl)-(1-methylcyclopentyl)methyl]hydrazine has a molecular weight of 319.19 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromo-2,6-difluorophenyl)-(1-methylcyclopentyl)methyl]hydrazine is sourced from PubChem (CID 106945625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).