[1-(3-bromo-4-fluorophenyl)-2-(3,3-difluorocyclopentyl)ethyl]hydrazine

C13H16BrF3N2 — CID 114225992

IUPAC[1-(3-bromo-4-fluorophenyl)-2-(3,3-difluorocyclopentyl)ethyl]hydrazine
SMILESNNC(CC1CCC(F)(F)C1)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H16BrF3N2/c14-10-6-9(1-2-11(10)15)12(19-18)5-8-3-4-13(16,17)7-8/h1-2,6,8,12,19H,3-5,7,18H2
InChIKeyGHKFCDIIJRAQCG-UHFFFAOYSA-N
MW337.18 g/mol
LogP3.92
Rot. Bonds4

About [1-(3-bromo-4-fluorophenyl)-2-(3,3-difluorocyclopentyl)ethyl]hydrazine

[1-(3-bromo-4-fluorophenyl)-2-(3,3-difluorocyclopentyl)ethyl]hydrazine (PubChem CID 114225992) has the molecular formula C13H16BrF3N2 and a molecular weight of 337.18 g/mol. Its IUPAC name is [1-(3-bromo-4-fluorophenyl)-2-(3,3-difluorocyclopentyl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromo-4-fluorophenyl)-2-(3,3-difluorocyclopentyl)ethyl]hydrazine
PubChem CID114225992
Molecular FormulaC13H16BrF3N2
Molecular Weight337.18 g/mol
Exact Mass336.04
IUPAC Name[1-(3-bromo-4-fluorophenyl)-2-(3,3-difluorocyclopentyl)ethyl]hydrazine
SMILESNNC(CC1CCC(F)(F)C1)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H16BrF3N2/c14-10-6-9(1-2-11(10)15)12(19-18)5-8-3-4-13(16,17)7-8/h1-2,6,8,12,19H,3-5,7,18H2
InChIKeyGHKFCDIIJRAQCG-UHFFFAOYSA-N
XLogP3.92
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.18
LogP ≤ 53.92
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

[2-(3,3-difluorocyclopentyl)-1-(3,4-dimethylphenyl)ethyl]hydrazine
CID 114226042
[1-(2,5-dibromophenyl)-2-(3,3-difluorocyclopentyl)ethyl]hydrazine
CID 114226017
5-chloro-2-[2-(3,3-difluorocyclopentyl)-1-hydrazinylethyl]aniline
CID 114225964
[1-(4-bromo-3-fluorophenyl)-2-cyclobutylethyl]hydrazine
CID 105310116
[2-(3,3-difluorocyclohexyl)-1-(3-methoxyphenyl)ethyl]hydrazine
CID 114225939
[2-cyclopropyl-1-(3,4-difluorophenyl)ethyl]hydrazine
CID 105196978
1-(3-bromophenyl)-2-(3,3-difluorocyclopentyl)-N-methylethanamine
CID 114224776
5-chloro-2-[2-(3,3-difluorocyclohexyl)-1-hydrazinylethyl]aniline
CID 114225965
1-(3-bromo-4-fluorophenyl)pent-4-enylhydrazine
CID 105264095
1-(4-chloro-3-fluorophenyl)-2-(3,3-difluorocyclopentyl)ethanamine
CID 114225791
1-(3-bromo-4-fluorophenyl)-2-cyclobutylethanol
CID 82809898
1-(3-bromo-4-fluorophenyl)-2-cycloheptylethanamine
CID 114457720

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-4-fluorophenyl)-2-(3,3-difluorocyclopentyl)ethyl]hydrazine?
The IUPAC name of [1-(3-bromo-4-fluorophenyl)-2-(3,3-difluorocyclopentyl)ethyl]hydrazine (CID 114225992) is [1-(3-bromo-4-fluorophenyl)-2-(3,3-difluorocyclopentyl)ethyl]hydrazine.
What is the SMILES notation for [1-(3-bromo-4-fluorophenyl)-2-(3,3-difluorocyclopentyl)ethyl]hydrazine?
The canonical SMILES for [1-(3-bromo-4-fluorophenyl)-2-(3,3-difluorocyclopentyl)ethyl]hydrazine is NNC(CC1CCC(F)(F)C1)c1ccc(F)c(Br)c1.
What is the InChIKey of [1-(3-bromo-4-fluorophenyl)-2-(3,3-difluorocyclopentyl)ethyl]hydrazine?
The InChIKey is GHKFCDIIJRAQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF3N2/c14-10-6-9(1-2-11(10)15)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-(3-bromo-4-fluorophenyl)-2-(3,3-difluorocyclopentyl)ethyl]hydrazine?
[1-(3-bromo-4-fluorophenyl)-2-(3,3-difluorocyclopentyl)ethyl]hydrazine has a molecular weight of 337.18 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-4-fluorophenyl)-2-(3,3-difluorocyclopentyl)ethyl]hydrazine is sourced from PubChem (CID 114225992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).