[1-[4-bromo-2-(trifluoromethyl)phenyl]-4-methoxy-4-methylpentyl]hydrazine

C14H20BrF3N2O — CID 103026706

IUPAC[1-[4-bromo-2-(trifluoromethyl)phenyl]-4-methoxy-4-methylpentyl]hydrazine
SMILESCOC(C)(C)CCC(NN)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H20BrF3N2O/c1-13(2,21-3)7-6-12(20-19)10-5-4-9(15)8-11(10)14(16,17)18/h4-5,8,12,20H,6-7,19H2,1-3H3
InChIKeyBPMNNPMNCVFKCS-UHFFFAOYSA-N
MW369.23 g/mol
LogP4.18
Rot. Bonds6

About [1-[4-bromo-2-(trifluoromethyl)phenyl]-4-methoxy-4-methylpentyl]hydrazine

[1-[4-bromo-2-(trifluoromethyl)phenyl]-4-methoxy-4-methylpentyl]hydrazine (PubChem CID 103026706) has the molecular formula C14H20BrF3N2O and a molecular weight of 369.23 g/mol. Its IUPAC name is [1-[4-bromo-2-(trifluoromethyl)phenyl]-4-methoxy-4-methylpentyl]hydrazine.

Molecular Properties

Compound Name[1-[4-bromo-2-(trifluoromethyl)phenyl]-4-methoxy-4-methylpentyl]hydrazine
PubChem CID103026706
Molecular FormulaC14H20BrF3N2O
Molecular Weight369.23 g/mol
Exact Mass368.07
IUPAC Name[1-[4-bromo-2-(trifluoromethyl)phenyl]-4-methoxy-4-methylpentyl]hydrazine
SMILESCOC(C)(C)CCC(NN)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H20BrF3N2O/c1-13(2,21-3)7-6-12(20-19)10-5-4-9(15)8-11(10)14(16,17)18/h4-5,8,12,20H,6-7,19H2,1-3H3
InChIKeyBPMNNPMNCVFKCS-UHFFFAOYSA-N
XLogP4.18
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.23
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2,4-difluorophenyl)-4-methoxy-4-methylpentyl]hydrazine
CID 103026559
[1-(5-fluoro-2-methylphenyl)-4-methoxy-4-methylpentyl]hydrazine
CID 103026629
1-[4-bromo-2-(trifluoromethyl)phenyl]-4-methoxy-N-methylbutan-1-amine
CID 112688296
[1-[4-bromo-2-(trifluoromethyl)phenyl]-2-pyridin-4-ylethyl]hydrazine
CID 105212854
[2-(4-bromothiophen-2-yl)-1-[4-bromo-2-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105212857
[1-(4-bromo-2-methylphenyl)-4,4-dimethylpentyl]hydrazine
CID 105299902
[1-(4-bromo-2-chlorophenyl)-4,4,4-trifluorobutyl]hydrazine
CID 105313950
[1-(3,4-dimethylphenyl)-4-methoxy-4-methylpentyl]hydrazine
CID 103026337
[1-(3,4-difluorophenyl)-4-methoxy-4-methylpentyl]hydrazine
CID 103026429
1-[4-bromo-2-(trifluoromethyl)phenyl]-4,4,4-trifluorobutan-1-amine
CID 64566197
1-[4-bromo-2-(trifluoromethyl)phenyl]-N,3-dimethylbutan-1-amine
CID 63416172
1-[4-bromo-2-(trifluoromethyl)phenyl]-N-methylpent-4-yn-1-amine
CID 63642769

Frequently Asked Questions

What is the IUPAC name of [1-[4-bromo-2-(trifluoromethyl)phenyl]-4-methoxy-4-methylpentyl]hydrazine?
The IUPAC name of [1-[4-bromo-2-(trifluoromethyl)phenyl]-4-methoxy-4-methylpentyl]hydrazine (CID 103026706) is [1-[4-bromo-2-(trifluoromethyl)phenyl]-4-methoxy-4-methylpentyl]hydrazine.
What is the SMILES notation for [1-[4-bromo-2-(trifluoromethyl)phenyl]-4-methoxy-4-methylpentyl]hydrazine?
The canonical SMILES for [1-[4-bromo-2-(trifluoromethyl)phenyl]-4-methoxy-4-methylpentyl]hydrazine is COC(C)(C)CCC(NN)c1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of [1-[4-bromo-2-(trifluoromethyl)phenyl]-4-methoxy-4-methylpentyl]hydrazine?
The InChIKey is BPMNNPMNCVFKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrF3N2O/c1-13(2,21-3)7-6-12(20-19)10-5-4-9(15)8-11(10)14(16,17)18/h4-5,8,12,20H,6-7,19H2,1-3H3.
What are the key properties of [1-[4-bromo-2-(trifluoromethyl)phenyl]-4-methoxy-4-methylpentyl]hydrazine?
[1-[4-bromo-2-(trifluoromethyl)phenyl]-4-methoxy-4-methylpentyl]hydrazine has a molecular weight of 369.23 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-bromo-2-(trifluoromethyl)phenyl]-4-methoxy-4-methylpentyl]hydrazine is sourced from PubChem (CID 103026706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).