[1-(2-bromo-3,4-difluorophenyl)-2-cyclopropylethyl]hydrazine

C11H13BrF2N2 — CID 107541167

IUPAC[1-(2-bromo-3,4-difluorophenyl)-2-cyclopropylethyl]hydrazine
SMILESNNC(CC1CC1)c1ccc(F)c(F)c1Br
InChIInChI=1S/C11H13BrF2N2/c12-10-7(3-4-8(13)11(10)14)9(16-15)5-6-1-2-6/h3-4,6,9,16H,1-2,5,15H2
InChIKeySIJXPWOSQUDEGV-UHFFFAOYSA-N
MW291.14 g/mol
LogP3.03
Rot. Bonds4

About [1-(2-bromo-3,4-difluorophenyl)-2-cyclopropylethyl]hydrazine

[1-(2-bromo-3,4-difluorophenyl)-2-cyclopropylethyl]hydrazine (PubChem CID 107541167) has the molecular formula C11H13BrF2N2 and a molecular weight of 291.14 g/mol. Its IUPAC name is [1-(2-bromo-3,4-difluorophenyl)-2-cyclopropylethyl]hydrazine.

Molecular Properties

Compound Name[1-(2-bromo-3,4-difluorophenyl)-2-cyclopropylethyl]hydrazine
PubChem CID107541167
Molecular FormulaC11H13BrF2N2
Molecular Weight291.14 g/mol
Exact Mass290.02
IUPAC Name[1-(2-bromo-3,4-difluorophenyl)-2-cyclopropylethyl]hydrazine
SMILESNNC(CC1CC1)c1ccc(F)c(F)c1Br
InChIInChI=1S/C11H13BrF2N2/c12-10-7(3-4-8(13)11(10)14)9(16-15)5-6-1-2-6/h3-4,6,9,16H,1-2,5,15H2
InChIKeySIJXPWOSQUDEGV-UHFFFAOYSA-N
XLogP3.03
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [1-(2-bromo-3,4-difluorophenyl)-2-cyclopropylethyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-cyclopropyl-1-(2-fluorophenyl)ethyl]hydrazine
CID 105216734
[2-cyclopentyl-1-(2,3-difluorophenyl)ethyl]hydrazine
CID 105299116
[2-cyclopropyl-1-(2-fluoro-4-methylphenyl)ethyl]hydrazine
CID 105311039
1-(2-bromo-3,4-difluorophenyl)hex-5-enylhydrazine
CID 107541153
[1-(2-bromo-4-fluorophenyl)-2-cyclobutylethyl]hydrazine
CID 105310051
[1-(3-bromo-2,6-difluorophenyl)-2-cyclobutylethyl]hydrazine
CID 106945539
[1-(2-bromo-4-chlorophenyl)-2-cyclobutylethyl]hydrazine
CID 107997064
[1-(5-chloro-2-fluorophenyl)-2-cyclopentylethyl]hydrazine
CID 105280031
[1-(2-bromo-4-fluorophenyl)-2-cyclohexylethyl]hydrazine
CID 105296167
[2-(1,1-dioxothiolan-3-yl)-1-(2,3,4-trifluorophenyl)ethyl]hydrazine
CID 105305688
[2-cyclopropyl-1-(3,4-difluorophenyl)ethyl]hydrazine
CID 105196978
[2-cyclopropyl-1-(3-fluoro-4-pyridinyl)ethyl]hydrazine
CID 105254097

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromo-3,4-difluorophenyl)-2-cyclopropylethyl]hydrazine?
The IUPAC name of [1-(2-bromo-3,4-difluorophenyl)-2-cyclopropylethyl]hydrazine (CID 107541167) is [1-(2-bromo-3,4-difluorophenyl)-2-cyclopropylethyl]hydrazine.
What is the SMILES notation for [1-(2-bromo-3,4-difluorophenyl)-2-cyclopropylethyl]hydrazine?
The canonical SMILES for [1-(2-bromo-3,4-difluorophenyl)-2-cyclopropylethyl]hydrazine is NNC(CC1CC1)c1ccc(F)c(F)c1Br.
What is the InChIKey of [1-(2-bromo-3,4-difluorophenyl)-2-cyclopropylethyl]hydrazine?
The InChIKey is SIJXPWOSQUDEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF2N2/c12-10-7(3-4-8(13)11(10)14)9(16-15)5-6-1-2-6/h3-4,6,9,16H,1-2,5,15H2.
What are the key properties of [1-(2-bromo-3,4-difluorophenyl)-2-cyclopropylethyl]hydrazine?
[1-(2-bromo-3,4-difluorophenyl)-2-cyclopropylethyl]hydrazine has a molecular weight of 291.14 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromo-3,4-difluorophenyl)-2-cyclopropylethyl]hydrazine is sourced from PubChem (CID 107541167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).