(3-bromo-2,4,5-trifluorophenyl)methylidenehydrazine

C7H4BrF3N2 — CID 168531130

IUPAC(3-bromo-2,4,5-trifluorophenyl)methylidenehydrazine
SMILESNN=Cc1cc(F)c(F)c(Br)c1F
InChIInChI=1S/C7H4BrF3N2/c8-5-6(10)3(2-13-12)1-4(9)7(5)11/h1-2H,12H2
InChIKeyLWIFULOOWRGODQ-UHFFFAOYSA-N
MW253.02 g/mol
LogP2.16
Rot. Bonds1

About (3-bromo-2,4,5-trifluorophenyl)methylidenehydrazine

(3-bromo-2,4,5-trifluorophenyl)methylidenehydrazine (PubChem CID 168531130) has the molecular formula C7H4BrF3N2 and a molecular weight of 253.02 g/mol. Its IUPAC name is (3-bromo-2,4,5-trifluorophenyl)methylidenehydrazine.

Molecular Properties

Compound Name(3-bromo-2,4,5-trifluorophenyl)methylidenehydrazine
PubChem CID168531130
Molecular FormulaC7H4BrF3N2
Molecular Weight253.02 g/mol
Exact Mass251.95
IUPAC Name(3-bromo-2,4,5-trifluorophenyl)methylidenehydrazine
SMILESNN=Cc1cc(F)c(F)c(Br)c1F
InChIInChI=1S/C7H4BrF3N2/c8-5-6(10)3(2-13-12)1-4(9)7(5)11/h1-2H,12H2
InChIKeyLWIFULOOWRGODQ-UHFFFAOYSA-N
XLogP2.16
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.02
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2-bromo-5-fluoro-3-iodophenyl)methylidenehydrazine
CID 168531108
magnesium;3-bromo-1,2,4,5-tetrafluorobenzene;dibromide
CID 175033297
3-bromo-1,2,4-trifluoro-5-methylbenzene
CID 54030137
3-bromo-1,2,4,5-tetrafluorobenzene;formonitrile
CID 146309479
2-(3-bromo-2,4,5-trifluorophenyl)propan-2-amine
CID 117111939
(2,4,6-trifluorophenyl)methylidenehydrazine
CID 66926379
[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]methylidenehydrazine
CID 168530349
(E)-(3-chloro-2,4-difluorophenyl)methylidenehydrazine;ethane
CID 176569325
N-[(2,3,4,5-tetrafluorophenyl)methylidene]hydroxylamine
CID 175024126
(4-bromothiophen-3-yl)methylidenehydrazine
CID 131872108
(2-bromophenyl)methylidenehydrazine
CID 73079892
(E)-(4-bromothiophen-3-yl)methylidenehydrazine
CID 119084662

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2,4,5-trifluorophenyl)methylidenehydrazine?
The IUPAC name of (3-bromo-2,4,5-trifluorophenyl)methylidenehydrazine (CID 168531130) is (3-bromo-2,4,5-trifluorophenyl)methylidenehydrazine.
What is the SMILES notation for (3-bromo-2,4,5-trifluorophenyl)methylidenehydrazine?
The canonical SMILES for (3-bromo-2,4,5-trifluorophenyl)methylidenehydrazine is NN=Cc1cc(F)c(F)c(Br)c1F.
What is the InChIKey of (3-bromo-2,4,5-trifluorophenyl)methylidenehydrazine?
The InChIKey is LWIFULOOWRGODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF3N2/c8-5-6(10)3(2-13-12)1-4(9)7(5)11/h1-2H,12H2.
What are the key properties of (3-bromo-2,4,5-trifluorophenyl)methylidenehydrazine?
(3-bromo-2,4,5-trifluorophenyl)methylidenehydrazine has a molecular weight of 253.02 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2,4,5-trifluorophenyl)methylidenehydrazine is sourced from PubChem (CID 168531130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).