[3-bromo-4-(trifluoromethoxy)phenyl]hydrazine

C7H6BrF3N2O — CID 118818953

IUPAC[3-bromo-4-(trifluoromethoxy)phenyl]hydrazine
SMILESNNc1ccc(OC(F)(F)F)c(Br)c1
InChIInChI=1S/C7H6BrF3N2O/c8-5-3-4(13-12)1-2-6(5)14-7(9,10)11/h1-3,13H,12H2
InChIKeyDGVNFTYWSXXVTD-UHFFFAOYSA-N
MW271.04 g/mol
LogP2.63
Rot. Bonds2

About [3-bromo-4-(trifluoromethoxy)phenyl]hydrazine

[3-bromo-4-(trifluoromethoxy)phenyl]hydrazine (PubChem CID 118818953) has the molecular formula C7H6BrF3N2O and a molecular weight of 271.04 g/mol. Its IUPAC name is [3-bromo-4-(trifluoromethoxy)phenyl]hydrazine.

Molecular Properties

Compound Name[3-bromo-4-(trifluoromethoxy)phenyl]hydrazine
PubChem CID118818953
Molecular FormulaC7H6BrF3N2O
Molecular Weight271.04 g/mol
Exact Mass269.96
IUPAC Name[3-bromo-4-(trifluoromethoxy)phenyl]hydrazine
SMILESNNc1ccc(OC(F)(F)F)c(Br)c1
InChIInChI=1S/C7H6BrF3N2O/c8-5-3-4(13-12)1-2-6(5)14-7(9,10)11/h1-3,13H,12H2
InChIKeyDGVNFTYWSXXVTD-UHFFFAOYSA-N
XLogP2.63
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.04
LogP ≤ 52.63
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

[3-bromo-4-(trifluoromethoxy)phenyl]carbamic acid
CID 23139549
2-[3-bromo-4-(trifluoromethoxy)anilino]ethanesulfonamide
CID 107336163
2-N-[3-bromo-4-(trifluoromethoxy)phenyl]pyrimidine-2,5-diamine
CID 107335782
3-bromo-N-prop-2-enyl-4-(trifluoromethoxy)aniline
CID 107336373
4-N-[3-bromo-4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
CID 107336858
3-N-[3-bromo-4-(trifluoromethoxy)phenyl]pyrazine-2,3-diamine
CID 107336862
3-bromo-N-but-3-enyl-4-(trifluoromethoxy)aniline
CID 107336219
N-[3-bromo-4-(trifluoromethoxy)phenyl]oxetan-3-amine
CID 107335872
1-N-[3-bromo-4-(trifluoromethoxy)phenyl]-4-iodobenzene-1,2-diamine
CID 107335757
N-[3-bromo-4-(trifluoromethoxy)phenyl]-2-methylprop-2-enamide
CID 175097026
5-[3-bromo-4-(trifluoromethoxy)anilino]pentan-1-ol
CID 107336208
2-N-[3-bromo-4-(trifluoromethoxy)phenyl]-3-methylbenzene-1,2-diamine
CID 107335791

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-(trifluoromethoxy)phenyl]hydrazine?
The IUPAC name of [3-bromo-4-(trifluoromethoxy)phenyl]hydrazine (CID 118818953) is [3-bromo-4-(trifluoromethoxy)phenyl]hydrazine.
What is the SMILES notation for [3-bromo-4-(trifluoromethoxy)phenyl]hydrazine?
The canonical SMILES for [3-bromo-4-(trifluoromethoxy)phenyl]hydrazine is NNc1ccc(OC(F)(F)F)c(Br)c1.
What is the InChIKey of [3-bromo-4-(trifluoromethoxy)phenyl]hydrazine?
The InChIKey is DGVNFTYWSXXVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF3N2O/c8-5-3-4(13-12)1-2-6(5)14-7(9,10)11/h1-3,13H,12H2.
What are the key properties of [3-bromo-4-(trifluoromethoxy)phenyl]hydrazine?
[3-bromo-4-(trifluoromethoxy)phenyl]hydrazine has a molecular weight of 271.04 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-(trifluoromethoxy)phenyl]hydrazine is sourced from PubChem (CID 118818953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).