[1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclobutylethyl]hydrazine

C13H16BrF3N2 — CID 105310132

IUPAC[1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclobutylethyl]hydrazine
SMILESNNC(CC1CCC1)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C13H16BrF3N2/c14-11-5-4-9(13(15,16)17)7-10(11)12(19-18)6-8-2-1-3-8/h4-5,7-8,12,19H,1-3,6,18H2
InChIKeyZDCCNZFZBQHYOW-UHFFFAOYSA-N
MW337.18 g/mol
LogP4.16
Rot. Bonds4

About [1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclobutylethyl]hydrazine

[1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclobutylethyl]hydrazine (PubChem CID 105310132) has the molecular formula C13H16BrF3N2 and a molecular weight of 337.18 g/mol. Its IUPAC name is [1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclobutylethyl]hydrazine.

Molecular Properties

Compound Name[1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclobutylethyl]hydrazine
PubChem CID105310132
Molecular FormulaC13H16BrF3N2
Molecular Weight337.18 g/mol
Exact Mass336.04
IUPAC Name[1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclobutylethyl]hydrazine
SMILESNNC(CC1CCC1)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C13H16BrF3N2/c14-11-5-4-9(13(15,16)17)7-10(11)12(19-18)6-8-2-1-3-8/h4-5,7-8,12,19H,1-3,6,18H2
InChIKeyZDCCNZFZBQHYOW-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
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

N-[1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethyl]propan-1-amine
CID 104986363
(1S)-1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethanamine
CID 171226771
[2-bromo-5-(trifluoromethyl)phenyl]-cyclobutylmethanamine
CID 43825557
[1-(2-bromo-4-fluorophenyl)-2-cyclobutylethyl]hydrazine
CID 105310051
1-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclobutyl-N-methylmethanamine
CID 105049563
1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(oxan-4-yl)ethanamine
CID 115846640
[1-(2-bromo-4-chlorophenyl)-2-cyclobutylethyl]hydrazine
CID 107997064
[1-(4-bromo-3-fluorophenyl)-2-cyclobutylethyl]hydrazine
CID 105310116
[1-(2-bromo-4-fluorophenyl)-2-cyclohexylethyl]hydrazine
CID 105296167
(1S,2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclopentylethanol
CID 171263148
[2-cyclopentyl-1-[2-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105299132
[2-cyclobutyl-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105250370

Frequently Asked Questions

What is the IUPAC name of [1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclobutylethyl]hydrazine?
The IUPAC name of [1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclobutylethyl]hydrazine (CID 105310132) is [1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclobutylethyl]hydrazine.
What is the SMILES notation for [1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclobutylethyl]hydrazine?
The canonical SMILES for [1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclobutylethyl]hydrazine is NNC(CC1CCC1)c1cc(C(F)(F)F)ccc1Br.
What is the InChIKey of [1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclobutylethyl]hydrazine?
The InChIKey is ZDCCNZFZBQHYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF3N2/c14-11-5-4-9(13(15,16)17)7-10(11)12(19-18)6-8-2-1-3-8/h4-5,7-8,12,19H,1-3,6,18H2.
What are the key properties of [1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclobutylethyl]hydrazine?
[1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclobutylethyl]hydrazine has a molecular weight of 337.18 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclobutylethyl]hydrazine is sourced from PubChem (CID 105310132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).