[(3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methyl]hydrazine

C13H18BrFN2 — CID 106649075

IUPAC[(3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methyl]hydrazine
SMILESCC1CCC(C(NN)c2cccc(Br)c2F)C1
InChIInChI=1S/C13H18BrFN2/c1-8-5-6-9(7-8)13(17-16)10-3-2-4-11(14)12(10)15/h2-4,8-9,13,17H,5-7,16H2,1H3
InChIKeyNFFUAKITOVRWKM-UHFFFAOYSA-N
MW301.20 g/mol
LogP3.53
Rot. Bonds3

About [(3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methyl]hydrazine

[(3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methyl]hydrazine (PubChem CID 106649075) has the molecular formula C13H18BrFN2 and a molecular weight of 301.20 g/mol. Its IUPAC name is [(3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methyl]hydrazine
PubChem CID106649075
Molecular FormulaC13H18BrFN2
Molecular Weight301.20 g/mol
Exact Mass300.06
IUPAC Name[(3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methyl]hydrazine
SMILESCC1CCC(C(NN)c2cccc(Br)c2F)C1
InChIInChI=1S/C13H18BrFN2/c1-8-5-6-9(7-8)13(17-16)10-3-2-4-11(14)12(10)15/h2-4,8-9,13,17H,5-7,16H2,1H3
InChIKeyNFFUAKITOVRWKM-UHFFFAOYSA-N
XLogP3.53
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 53.53
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

(3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methanamine
CID 106645707
(3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methanol
CID 106645085
[(2-fluoro-3-methylphenyl)-(3-methylcyclohexyl)methyl]hydrazine
CID 105313617
[(3-bromo-2-methylphenyl)-(3,4-dimethylcyclohexyl)methyl]hydrazine
CID 105312464
[(2-bromo-3-fluorophenyl)-cyclopropylmethyl]hydrazine
CID 105314529
[(5-fluoro-2-methoxyphenyl)-(3-methylcyclopentyl)methyl]hydrazine
CID 105233254
[(2-bromo-3-methylphenyl)-(3-methylcyclohexyl)methyl]hydrazine
CID 107986073
[(3-bromo-2-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 107954284
3-[hydrazinyl-(3-methylcyclopentyl)methyl]pyridin-2-amine
CID 105233187
[(2-bromo-5-fluorophenyl)-(3-methylcyclohexyl)methyl]hydrazine
CID 105313608
[(2,6-difluoro-3-methylphenyl)-(3-methylcyclopentyl)methyl]hydrazine
CID 105233118
[(2-bromo-4-fluorophenyl)-(4-methylcyclohexyl)methyl]hydrazine
CID 105311807

Frequently Asked Questions

What is the IUPAC name of [(3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methyl]hydrazine?
The IUPAC name of [(3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methyl]hydrazine (CID 106649075) is [(3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methyl]hydrazine.
What is the SMILES notation for [(3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methyl]hydrazine?
The canonical SMILES for [(3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methyl]hydrazine is CC1CCC(C(NN)c2cccc(Br)c2F)C1.
What is the InChIKey of [(3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methyl]hydrazine?
The InChIKey is NFFUAKITOVRWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2/c1-8-5-6-9(7-8)13(17-16)10-3-2-4-11(14)12(10)15/h2-4,8-9,13,17H,5-7,16H2,1H3.
What are the key properties of [(3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methyl]hydrazine?
[(3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methyl]hydrazine has a molecular weight of 301.20 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methyl]hydrazine is sourced from PubChem (CID 106649075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).