[(2-bromo-3,4-difluorophenyl)-(3-chlorothiophen-2-yl)methyl]hydrazine

C11H8BrClF2N2S — CID 107541175

IUPAC[(2-bromo-3,4-difluorophenyl)-(3-chlorothiophen-2-yl)methyl]hydrazine
SMILESNNC(c1ccc(F)c(F)c1Br)c1sccc1Cl
InChIInChI=1S/C11H8BrClF2N2S/c12-8-5(1-2-7(14)9(8)15)10(17-16)11-6(13)3-4-18-11/h1-4,10,17H,16H2
InChIKeyHOCDVUWWGQOYLY-UHFFFAOYSA-N
MW353.62 g/mol
LogP3.99
Rot. Bonds3

About [(2-bromo-3,4-difluorophenyl)-(3-chlorothiophen-2-yl)methyl]hydrazine

[(2-bromo-3,4-difluorophenyl)-(3-chlorothiophen-2-yl)methyl]hydrazine (PubChem CID 107541175) has the molecular formula C11H8BrClF2N2S and a molecular weight of 353.62 g/mol. Its IUPAC name is [(2-bromo-3,4-difluorophenyl)-(3-chlorothiophen-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-bromo-3,4-difluorophenyl)-(3-chlorothiophen-2-yl)methyl]hydrazine
PubChem CID107541175
Molecular FormulaC11H8BrClF2N2S
Molecular Weight353.62 g/mol
Exact Mass351.92
IUPAC Name[(2-bromo-3,4-difluorophenyl)-(3-chlorothiophen-2-yl)methyl]hydrazine
SMILESNNC(c1ccc(F)c(F)c1Br)c1sccc1Cl
InChIInChI=1S/C11H8BrClF2N2S/c12-8-5(1-2-7(14)9(8)15)10(17-16)11-6(13)3-4-18-11/h1-4,10,17H,16H2
InChIKeyHOCDVUWWGQOYLY-UHFFFAOYSA-N
XLogP3.99
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.62
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2-bromo-3,4-difluorophenyl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 107541161
[(2-bromo-4-fluorophenyl)-(3-chlorothiophen-2-yl)methyl]hydrazine
CID 107362233
[(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-3,4-difluorophenyl)methyl]hydrazine
CID 107541279
[(2-bromo-3,4-difluorophenyl)-(4-bromothiophen-3-yl)methyl]hydrazine
CID 107541246
[(3-chlorothiophen-2-yl)-(3-fluoro-4-pyridinyl)methyl]hydrazine
CID 105335330
[(3-bromothiophen-2-yl)-(2-chloro-4-fluorophenyl)methyl]hydrazine
CID 105215506
[(3-chlorothiophen-2-yl)-(5-chlorothiophen-2-yl)methyl]hydrazine
CID 105328155
[(2-bromo-3,4-difluorophenyl)-(2,4,5-trimethylphenyl)methyl]hydrazine
CID 107541299
1-(5-bromo-2-fluorophenyl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine
CID 80529266
[(2-bromo-3,4-difluorophenyl)-(3-fluorophenyl)methyl]hydrazine
CID 107541340
[(2,4-dichlorophenyl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105322333
[(3-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methyl]hydrazine
CID 105292490

Frequently Asked Questions

What is the IUPAC name of [(2-bromo-3,4-difluorophenyl)-(3-chlorothiophen-2-yl)methyl]hydrazine?
The IUPAC name of [(2-bromo-3,4-difluorophenyl)-(3-chlorothiophen-2-yl)methyl]hydrazine (CID 107541175) is [(2-bromo-3,4-difluorophenyl)-(3-chlorothiophen-2-yl)methyl]hydrazine.
What is the SMILES notation for [(2-bromo-3,4-difluorophenyl)-(3-chlorothiophen-2-yl)methyl]hydrazine?
The canonical SMILES for [(2-bromo-3,4-difluorophenyl)-(3-chlorothiophen-2-yl)methyl]hydrazine is NNC(c1ccc(F)c(F)c1Br)c1sccc1Cl.
What is the InChIKey of [(2-bromo-3,4-difluorophenyl)-(3-chlorothiophen-2-yl)methyl]hydrazine?
The InChIKey is HOCDVUWWGQOYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClF2N2S/c12-8-5(1-2-7(14)9(8)15)10(17-16)11-6(13)3-4-18-11/h1-4,10,17H,16H2.
What are the key properties of [(2-bromo-3,4-difluorophenyl)-(3-chlorothiophen-2-yl)methyl]hydrazine?
[(2-bromo-3,4-difluorophenyl)-(3-chlorothiophen-2-yl)methyl]hydrazine has a molecular weight of 353.62 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-bromo-3,4-difluorophenyl)-(3-chlorothiophen-2-yl)methyl]hydrazine is sourced from PubChem (CID 107541175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).