[(3-bromothiophen-2-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine

C11H8BrF3N2S — CID 105208216

IUPAC[(3-bromothiophen-2-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
SMILESNNC(c1cc(F)c(F)c(F)c1)c1sccc1Br
InChIInChI=1S/C11H8BrF3N2S/c12-6-1-2-18-11(6)10(17-16)5-3-7(13)9(15)8(14)4-5/h1-4,10,17H,16H2
InChIKeyQSODWWOQIIIJOE-UHFFFAOYSA-N
MW337.16 g/mol
LogP3.48
Rot. Bonds3

About [(3-bromothiophen-2-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine

[(3-bromothiophen-2-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine (PubChem CID 105208216) has the molecular formula C11H8BrF3N2S and a molecular weight of 337.16 g/mol. Its IUPAC name is [(3-bromothiophen-2-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromothiophen-2-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
PubChem CID105208216
Molecular FormulaC11H8BrF3N2S
Molecular Weight337.16 g/mol
Exact Mass335.95
IUPAC Name[(3-bromothiophen-2-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
SMILESNNC(c1cc(F)c(F)c(F)c1)c1sccc1Br
InChIInChI=1S/C11H8BrF3N2S/c12-6-1-2-18-11(6)10(17-16)5-3-7(13)9(15)8(14)4-5/h1-4,10,17H,16H2
InChIKeyQSODWWOQIIIJOE-UHFFFAOYSA-N
XLogP3.48
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 53.48
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

[(3-methylthiophen-2-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
CID 105208141
[(2-bromo-6-fluorophenyl)-(3-bromothiophen-2-yl)methyl]hydrazine
CID 105280536
1-(3-bromothiophen-2-yl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 63798443
[(2-methylthiophen-3-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
CID 102842698
[(3-bromothiophen-2-yl)-(4-bromothiophen-2-yl)methyl]hydrazine
CID 105222634
[(3-bromothiophen-2-yl)-(2-chloro-4-fluorophenyl)methyl]hydrazine
CID 105215506
[(3-bromothiophen-2-yl)-(2-chloro-4-pyridinyl)methyl]hydrazine
CID 105252869
[(3-bromothiophen-2-yl)-pyridin-3-ylmethyl]hydrazine
CID 105196295
[(3-bromothiophen-2-yl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]hydrazine
CID 105302932
[(3-bromothiophen-2-yl)-(furan-2-yl)methyl]hydrazine
CID 105213683
[(3-bromothiophen-2-yl)-(4-methoxythiophen-2-yl)methyl]hydrazine
CID 105327987
[(4-bromo-3-chloro-2-fluorophenyl)-(3,4,5-trifluorophenyl)methyl]hydrazine
CID 106765223

Frequently Asked Questions

What is the IUPAC name of [(3-bromothiophen-2-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine?
The IUPAC name of [(3-bromothiophen-2-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine (CID 105208216) is [(3-bromothiophen-2-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine.
What is the SMILES notation for [(3-bromothiophen-2-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine?
The canonical SMILES for [(3-bromothiophen-2-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine is NNC(c1cc(F)c(F)c(F)c1)c1sccc1Br.
What is the InChIKey of [(3-bromothiophen-2-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine?
The InChIKey is QSODWWOQIIIJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF3N2S/c12-6-1-2-18-11(6)10(17-16)5-3-7(13)9(15)8(14)4-5/h1-4,10,17H,16H2.
What are the key properties of [(3-bromothiophen-2-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine?
[(3-bromothiophen-2-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine has a molecular weight of 337.16 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromothiophen-2-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine is sourced from PubChem (CID 105208216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).