[[4-bromo-2-(trifluoromethyl)phenyl]-cyclopropylmethyl]hydrazine

C11H12BrF3N2 — CID 105212772

IUPAC[[4-bromo-2-(trifluoromethyl)phenyl]-cyclopropylmethyl]hydrazine
SMILESNNC(c1ccc(Br)cc1C(F)(F)F)C1CC1
InChIInChI=1S/C11H12BrF3N2/c12-7-3-4-8(9(5-7)11(13,14)15)10(17-16)6-1-2-6/h3-6,10,17H,1-2,16H2
InChIKeyOTPWQHZMVGEWSB-UHFFFAOYSA-N
MW309.13 g/mol
LogP3.38
Rot. Bonds3

About [[4-bromo-2-(trifluoromethyl)phenyl]-cyclopropylmethyl]hydrazine

[[4-bromo-2-(trifluoromethyl)phenyl]-cyclopropylmethyl]hydrazine (PubChem CID 105212772) has the molecular formula C11H12BrF3N2 and a molecular weight of 309.13 g/mol. Its IUPAC name is [[4-bromo-2-(trifluoromethyl)phenyl]-cyclopropylmethyl]hydrazine.

Molecular Properties

Compound Name[[4-bromo-2-(trifluoromethyl)phenyl]-cyclopropylmethyl]hydrazine
PubChem CID105212772
Molecular FormulaC11H12BrF3N2
Molecular Weight309.13 g/mol
Exact Mass308.01
IUPAC Name[[4-bromo-2-(trifluoromethyl)phenyl]-cyclopropylmethyl]hydrazine
SMILESNNC(c1ccc(Br)cc1C(F)(F)F)C1CC1
InChIInChI=1S/C11H12BrF3N2/c12-7-3-4-8(9(5-7)11(13,14)15)10(17-16)6-1-2-6/h3-6,10,17H,1-2,16H2
InChIKeyOTPWQHZMVGEWSB-UHFFFAOYSA-N
XLogP3.38
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.13
LogP ≤ 53.38
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

1-[4-bromo-2-(trifluoromethyl)phenyl]-1-cycloheptyl-N-methylmethanamine
CID 82932687
[4-bromo-2-(trifluoromethyl)phenyl]-(4-methylcyclohexyl)methanol
CID 64776028
[cyclobutyl-(2,5-dibromophenyl)methyl]hydrazine
CID 105340154
1-[4-bromo-2-(trifluoromethyl)phenyl]-N-methyl-1-(oxan-3-yl)methanamine
CID 107136313
4-bromo-2-[cyclobutyl(hydrazinyl)methyl]aniline
CID 105263606
[cyclobutyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105257667
[(5-bromo-2-chlorophenyl)-cyclobutylmethyl]hydrazine
CID 105340076
[cyclopropyl-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105250205
[[4-bromo-2-(trifluoromethyl)phenyl]-(2-chlorophenyl)methyl]hydrazine
CID 105212774
1-[4-bromo-2-(trifluoromethyl)phenyl]-3-methylbutan-1-amine
CID 62690862
[(3,4-dimethylcyclohexyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105312456
[[4-bromo-2-(trifluoromethyl)phenyl]-(3-chlorophenyl)methyl]hydrazine
CID 105212866

Frequently Asked Questions

What is the IUPAC name of [[4-bromo-2-(trifluoromethyl)phenyl]-cyclopropylmethyl]hydrazine?
The IUPAC name of [[4-bromo-2-(trifluoromethyl)phenyl]-cyclopropylmethyl]hydrazine (CID 105212772) is [[4-bromo-2-(trifluoromethyl)phenyl]-cyclopropylmethyl]hydrazine.
What is the SMILES notation for [[4-bromo-2-(trifluoromethyl)phenyl]-cyclopropylmethyl]hydrazine?
The canonical SMILES for [[4-bromo-2-(trifluoromethyl)phenyl]-cyclopropylmethyl]hydrazine is NNC(c1ccc(Br)cc1C(F)(F)F)C1CC1.
What is the InChIKey of [[4-bromo-2-(trifluoromethyl)phenyl]-cyclopropylmethyl]hydrazine?
The InChIKey is OTPWQHZMVGEWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF3N2/c12-7-3-4-8(9(5-7)11(13,14)15)10(17-16)6-1-2-6/h3-6,10,17H,1-2,16H2.
What are the key properties of [[4-bromo-2-(trifluoromethyl)phenyl]-cyclopropylmethyl]hydrazine?
[[4-bromo-2-(trifluoromethyl)phenyl]-cyclopropylmethyl]hydrazine has a molecular weight of 309.13 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-bromo-2-(trifluoromethyl)phenyl]-cyclopropylmethyl]hydrazine is sourced from PubChem (CID 105212772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).