prop-1-en-2-yl (1Z)-4-bromo-3-fluorobenzenecarbohydrazonate

C10H10BrFN2O — CID 89221552

IUPACprop-1-en-2-yl (1Z)-4-bromo-3-fluorobenzenecarbohydrazonate
SMILESC=C(C)O/C(=N\N)c1ccc(Br)c(F)c1
InChIInChI=1S/C10H10BrFN2O/c1-6(2)15-10(14-13)7-3-4-8(11)9(12)5-7/h3-5H,1,13H2,2H3/b14-10-
InChIKeyFFMKYXKVGZGWDX-UVTDQMKNSA-N
MW273.11 g/mol
LogP2.76
Rot. Bonds2

About prop-1-en-2-yl (1Z)-4-bromo-3-fluorobenzenecarbohydrazonate

prop-1-en-2-yl (1Z)-4-bromo-3-fluorobenzenecarbohydrazonate (PubChem CID 89221552) has the molecular formula C10H10BrFN2O and a molecular weight of 273.11 g/mol. Its IUPAC name is prop-1-en-2-yl (1Z)-4-bromo-3-fluorobenzenecarbohydrazonate.

Molecular Properties

Compound Nameprop-1-en-2-yl (1Z)-4-bromo-3-fluorobenzenecarbohydrazonate
PubChem CID89221552
Molecular FormulaC10H10BrFN2O
Molecular Weight273.11 g/mol
Exact Mass272.00
IUPAC Nameprop-1-en-2-yl (1Z)-4-bromo-3-fluorobenzenecarbohydrazonate
SMILESC=C(C)O/C(=N\N)c1ccc(Br)c(F)c1
InChIInChI=1S/C10H10BrFN2O/c1-6(2)15-10(14-13)7-3-4-8(11)9(12)5-7/h3-5H,1,13H2,2H3/b14-10-
InChIKeyFFMKYXKVGZGWDX-UVTDQMKNSA-N
XLogP2.76
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.11
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(4-bromo-3-fluorophenyl)prop-2-enoate
CID 141270822
[1-(4-bromo-3-fluorophenyl)-2-methyl-1-oxopropan-2-yl] acetate
CID 146010846
1-(4-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-one
CID 24724073
ethyl 3-(4-bromo-3-fluorophenyl)-3-oxopropanoate
CID 53404614
4-bromo-3-fluoro-N-(2-oxopropyl)benzamide
CID 64996616
4-bromo-2-ethanehydrazonoyl-5-fluorophenol
CID 137270968
1-bromo-2-fluoro-4-(3-methylbut-3-enoxy)benzene
CID 114472666
(4-bromo-3-fluorophenyl)methyl 4-bromo-3-fluorobenzoate
CID 70164976
(4-bromo-3-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 115797912
4-bromo-3-fluoro-N'-(6-fluoro-2-methylindazol-5-yl)benzenecarboximidamide
CID 118626617
methyl 2-[(4-bromo-3-fluorobenzoyl)amino]acetate
CID 47421773
N-(2-acetylphenyl)-4-bromo-3-fluorobenzamide
CID 47421879

Frequently Asked Questions

What is the IUPAC name of prop-1-en-2-yl (1Z)-4-bromo-3-fluorobenzenecarbohydrazonate?
The IUPAC name of prop-1-en-2-yl (1Z)-4-bromo-3-fluorobenzenecarbohydrazonate (CID 89221552) is prop-1-en-2-yl (1Z)-4-bromo-3-fluorobenzenecarbohydrazonate.
What is the SMILES notation for prop-1-en-2-yl (1Z)-4-bromo-3-fluorobenzenecarbohydrazonate?
The canonical SMILES for prop-1-en-2-yl (1Z)-4-bromo-3-fluorobenzenecarbohydrazonate is C=C(C)O/C(=N\N)c1ccc(Br)c(F)c1.
What is the InChIKey of prop-1-en-2-yl (1Z)-4-bromo-3-fluorobenzenecarbohydrazonate?
The InChIKey is FFMKYXKVGZGWDX-UVTDQMKNSA-N. The full InChI is InChI=1S/C10H10BrFN2O/c1-6(2)15-10(14-13)7-3-4-8(11)9(12)5-7/h3-5H,1,13H2,2H3/b14-10-.
What are the key properties of prop-1-en-2-yl (1Z)-4-bromo-3-fluorobenzenecarbohydrazonate?
prop-1-en-2-yl (1Z)-4-bromo-3-fluorobenzenecarbohydrazonate has a molecular weight of 273.11 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-yl (1Z)-4-bromo-3-fluorobenzenecarbohydrazonate is sourced from PubChem (CID 89221552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).