[1-(2,5-dibromophenyl)-2-(3,3-difluorocyclopentyl)ethyl]hydrazine

C13H16Br2F2N2 — CID 114226017

IUPAC[1-(2,5-dibromophenyl)-2-(3,3-difluorocyclopentyl)ethyl]hydrazine
SMILESNNC(CC1CCC(F)(F)C1)c1cc(Br)ccc1Br
InChIInChI=1S/C13H16Br2F2N2/c14-9-1-2-11(15)10(6-9)12(19-18)5-8-3-4-13(16,17)7-8/h1-2,6,8,12,19H,3-5,7,18H2
InChIKeyVNMFUHKMHMIGAU-UHFFFAOYSA-N
MW398.09 g/mol
LogP4.54
Rot. Bonds4

About [1-(2,5-dibromophenyl)-2-(3,3-difluorocyclopentyl)ethyl]hydrazine

[1-(2,5-dibromophenyl)-2-(3,3-difluorocyclopentyl)ethyl]hydrazine (PubChem CID 114226017) has the molecular formula C13H16Br2F2N2 and a molecular weight of 398.09 g/mol. Its IUPAC name is [1-(2,5-dibromophenyl)-2-(3,3-difluorocyclopentyl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(2,5-dibromophenyl)-2-(3,3-difluorocyclopentyl)ethyl]hydrazine
PubChem CID114226017
Molecular FormulaC13H16Br2F2N2
Molecular Weight398.09 g/mol
Exact Mass395.96
IUPAC Name[1-(2,5-dibromophenyl)-2-(3,3-difluorocyclopentyl)ethyl]hydrazine
SMILESNNC(CC1CCC(F)(F)C1)c1cc(Br)ccc1Br
InChIInChI=1S/C13H16Br2F2N2/c14-9-1-2-11(15)10(6-9)12(19-18)5-8-3-4-13(16,17)7-8/h1-2,6,8,12,19H,3-5,7,18H2
InChIKeyVNMFUHKMHMIGAU-UHFFFAOYSA-N
XLogP4.54
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.09
LogP ≤ 54.54
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-4-fluorophenyl)-2-(3,3-difluorocyclopentyl)ethyl]hydrazine
CID 114225992
5-chloro-2-[2-(3,3-difluorocyclopentyl)-1-hydrazinylethyl]aniline
CID 114225964
[2-(3,3-difluorocyclopentyl)-1-(3,4-dimethylphenyl)ethyl]hydrazine
CID 114226042
1-(3-bromophenyl)-2-(3,3-difluorocyclopentyl)-N-methylethanamine
CID 114224776
5-chloro-2-[2-(3,3-difluorocyclohexyl)-1-hydrazinylethyl]aniline
CID 114225965
[1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclobutylethyl]hydrazine
CID 105310132
[2-(3,3-difluorocyclohexyl)-1-(2,5-dimethylfuran-3-yl)ethyl]hydrazine
CID 114226056
[1-(4-bromo-2-methoxyphenyl)-2-cyclopropylethyl]hydrazine
CID 105311172
2-cyclohexyl-1-(2,5-dibromophenyl)-N-ethylethanamine
CID 43489649
2-(4-bromophenyl)-3-(3,3-difluorocyclopentyl)propan-1-ol
CID 114225420
1-(5-chlorofuran-2-yl)-2-(3,3-difluorocyclopentyl)-N-methylethanamine
CID 114225805
[1-(2,5-dibromophenyl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 105283783

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dibromophenyl)-2-(3,3-difluorocyclopentyl)ethyl]hydrazine?
The IUPAC name of [1-(2,5-dibromophenyl)-2-(3,3-difluorocyclopentyl)ethyl]hydrazine (CID 114226017) is [1-(2,5-dibromophenyl)-2-(3,3-difluorocyclopentyl)ethyl]hydrazine.
What is the SMILES notation for [1-(2,5-dibromophenyl)-2-(3,3-difluorocyclopentyl)ethyl]hydrazine?
The canonical SMILES for [1-(2,5-dibromophenyl)-2-(3,3-difluorocyclopentyl)ethyl]hydrazine is NNC(CC1CCC(F)(F)C1)c1cc(Br)ccc1Br.
What is the InChIKey of [1-(2,5-dibromophenyl)-2-(3,3-difluorocyclopentyl)ethyl]hydrazine?
The InChIKey is VNMFUHKMHMIGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Br2F2N2/c14-9-1-2-11(15)10(6-9)12(19-18)5-8-3-4-13(16,17)7-8/h1-2,6,8,12,19H,3-5,7,18H2.
What are the key properties of [1-(2,5-dibromophenyl)-2-(3,3-difluorocyclopentyl)ethyl]hydrazine?
[1-(2,5-dibromophenyl)-2-(3,3-difluorocyclopentyl)ethyl]hydrazine has a molecular weight of 398.09 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dibromophenyl)-2-(3,3-difluorocyclopentyl)ethyl]hydrazine is sourced from PubChem (CID 114226017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).