[(2-fluoro-4,6-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine

C17H21FN2S — CID 106884546

IUPAC[(2-fluoro-4,6-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine
SMILESCc1cc(C)c(C(NN)c2cc3c(s2)CCCC3)c(F)c1
InChIInChI=1S/C17H21FN2S/c1-10-7-11(2)16(13(18)8-10)17(20-19)15-9-12-5-3-4-6-14(12)21-15/h7-9,17,20H,3-6,19H2,1-2H3
InChIKeyQOPLFHMZQUDCJO-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.94
Rot. Bonds3

About [(2-fluoro-4,6-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine

[(2-fluoro-4,6-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine (PubChem CID 106884546) has the molecular formula C17H21FN2S and a molecular weight of 304.43 g/mol. Its IUPAC name is [(2-fluoro-4,6-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-fluoro-4,6-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine
PubChem CID106884546
Molecular FormulaC17H21FN2S
Molecular Weight304.43 g/mol
Exact Mass304.14
IUPAC Name[(2-fluoro-4,6-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine
SMILESCc1cc(C)c(C(NN)c2cc3c(s2)CCCC3)c(F)c1
InChIInChI=1S/C17H21FN2S/c1-10-7-11(2)16(13(18)8-10)17(20-19)15-9-12-5-3-4-6-14(12)21-15/h7-9,17,20H,3-6,19H2,1-2H3
InChIKeyQOPLFHMZQUDCJO-UHFFFAOYSA-N
XLogP3.94
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.94
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

1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine
CID 106883974
[4,5,6,7-tetrahydro-1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methyl]hydrazine
CID 105312827
[2,3-dihydro-1H-inden-5-yl-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine
CID 106884532
[(2-fluoro-4,6-dimethylphenyl)-(5-methylthiophen-2-yl)methyl]hydrazine
CID 106884633
4,5,6,7-tetrahydro-1-benzothiophen-2-yl-(2,4,6-trimethylphenyl)methanol
CID 63426285
N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(2,4,6-trifluorophenyl)methanamine
CID 43483141
[(4-chloro-2-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine
CID 105328328
(4-fluoro-2,6-dimethylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine
CID 106877226
[(3-chloro-4-methylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]hydrazine
CID 107562528
[(4-methyl-3-pyridinyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]hydrazine
CID 105320479
2-[bromo-(4-fluoro-2,6-dimethylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene
CID 106880069
[(2-fluoro-3-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine
CID 105329255

Frequently Asked Questions

What is the IUPAC name of [(2-fluoro-4,6-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine?
The IUPAC name of [(2-fluoro-4,6-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine (CID 106884546) is [(2-fluoro-4,6-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine.
What is the SMILES notation for [(2-fluoro-4,6-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine?
The canonical SMILES for [(2-fluoro-4,6-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine is Cc1cc(C)c(C(NN)c2cc3c(s2)CCCC3)c(F)c1.
What is the InChIKey of [(2-fluoro-4,6-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine?
The InChIKey is QOPLFHMZQUDCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2S/c1-10-7-11(2)16(13(18)8-10)17(20-19)15-9-12-5-3-4-6-14(12)21-15/h7-9,17,20H,3-6,19H2,1-2H3.
What are the key properties of [(2-fluoro-4,6-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine?
[(2-fluoro-4,6-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine has a molecular weight of 304.43 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-fluoro-4,6-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine is sourced from PubChem (CID 106884546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).