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

C12H15BrF2N2 — CID 106945539

IUPAC[1-(3-bromo-2,6-difluorophenyl)-2-cyclobutylethyl]hydrazine
SMILESNNC(CC1CCC1)c1c(F)ccc(Br)c1F
InChIInChI=1S/C12H15BrF2N2/c13-8-4-5-9(14)11(12(8)15)10(17-16)6-7-2-1-3-7/h4-5,7,10,17H,1-3,6,16H2
InChIKeyAJFNFZNRTLFUDQ-UHFFFAOYSA-N
MW305.17 g/mol
LogP3.42
Rot. Bonds4

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

[1-(3-bromo-2,6-difluorophenyl)-2-cyclobutylethyl]hydrazine (PubChem CID 106945539) has the molecular formula C12H15BrF2N2 and a molecular weight of 305.17 g/mol. Its IUPAC name is [1-(3-bromo-2,6-difluorophenyl)-2-cyclobutylethyl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromo-2,6-difluorophenyl)-2-cyclobutylethyl]hydrazine
PubChem CID106945539
Molecular FormulaC12H15BrF2N2
Molecular Weight305.17 g/mol
Exact Mass304.04
IUPAC Name[1-(3-bromo-2,6-difluorophenyl)-2-cyclobutylethyl]hydrazine
SMILESNNC(CC1CCC1)c1c(F)ccc(Br)c1F
InChIInChI=1S/C12H15BrF2N2/c13-8-4-5-9(14)11(12(8)15)10(17-16)6-7-2-1-3-7/h4-5,7,10,17H,1-3,6,16H2
InChIKeyAJFNFZNRTLFUDQ-UHFFFAOYSA-N
XLogP3.42
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 53.42
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)-2-cyclobutyl-N-methylethanamine
CID 106944871
[2-cyclobutyl-1-(2,6-difluoro-3-methylphenyl)ethyl]hydrazine
CID 105310002
1-(3-bromo-2,6-difluorophenyl)-2-cycloheptylethanamine
CID 106944608
[1-(4-bromo-3-fluorophenyl)-2-cyclobutylethyl]hydrazine
CID 105310116
[(3-bromo-2,6-difluorophenyl)-cyclopropylmethyl]hydrazine
CID 106945257
[2-cycloheptyl-1-(2,6-difluorophenyl)ethyl]hydrazine
CID 105308040
(R)-(3-bromo-2,6-difluorophenyl)-cyclobutylmethanamine
CID 131561213
[1-(3-bromo-2,6-difluorophenyl)-2-propan-2-yloxyethyl]hydrazine
CID 106945665
[1-(3-bromo-2,6-difluorophenyl)-4,4,4-trifluorobutyl]hydrazine
CID 106945388
[2-cyclopentyl-1-(2,3,4,5,6-pentafluorophenyl)ethyl]hydrazine
CID 105299069
[1-(2-bromo-3,4-difluorophenyl)-2-cyclopropylethyl]hydrazine
CID 107541167
3-(3-bromo-2,6-difluorophenyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine
CID 106945415

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-2,6-difluorophenyl)-2-cyclobutylethyl]hydrazine?
The IUPAC name of [1-(3-bromo-2,6-difluorophenyl)-2-cyclobutylethyl]hydrazine (CID 106945539) is [1-(3-bromo-2,6-difluorophenyl)-2-cyclobutylethyl]hydrazine.
What is the SMILES notation for [1-(3-bromo-2,6-difluorophenyl)-2-cyclobutylethyl]hydrazine?
The canonical SMILES for [1-(3-bromo-2,6-difluorophenyl)-2-cyclobutylethyl]hydrazine is NNC(CC1CCC1)c1c(F)ccc(Br)c1F.
What is the InChIKey of [1-(3-bromo-2,6-difluorophenyl)-2-cyclobutylethyl]hydrazine?
The InChIKey is AJFNFZNRTLFUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrF2N2/c13-8-4-5-9(14)11(12(8)15)10(17-16)6-7-2-1-3-7/h4-5,7,10,17H,1-3,6,16H2.
What are the key properties of [1-(3-bromo-2,6-difluorophenyl)-2-cyclobutylethyl]hydrazine?
[1-(3-bromo-2,6-difluorophenyl)-2-cyclobutylethyl]hydrazine has a molecular weight of 305.17 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-2,6-difluorophenyl)-2-cyclobutylethyl]hydrazine is sourced from PubChem (CID 106945539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).