1-[3-ethyl-6-fluoro-2-[(E)-2-thiophen-2-ylethenyl]phenyl]-1-methylhydrazine

C15H17FN2S — CID 144838680

IUPAC1-[3-ethyl-6-fluoro-2-[(E)-2-thiophen-2-ylethenyl]phenyl]-1-methylhydrazine
SMILESCCc1ccc(F)c(N(C)N)c1/C=C/c1cccs1
InChIInChI=1S/C15H17FN2S/c1-3-11-6-9-14(16)15(18(2)17)13(11)8-7-12-5-4-10-19-12/h4-10H,3,17H2,1-2H3/b8-7+
InChIKeyDUZXYQBIMKTRCW-BQYQJAHWSA-N
MW276.38 g/mol
LogP3.93
Rot. Bonds4

About 1-[3-ethyl-6-fluoro-2-[(E)-2-thiophen-2-ylethenyl]phenyl]-1-methylhydrazine

1-[3-ethyl-6-fluoro-2-[(E)-2-thiophen-2-ylethenyl]phenyl]-1-methylhydrazine (PubChem CID 144838680) has the molecular formula C15H17FN2S and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[3-ethyl-6-fluoro-2-[(E)-2-thiophen-2-ylethenyl]phenyl]-1-methylhydrazine.

Molecular Properties

Compound Name1-[3-ethyl-6-fluoro-2-[(E)-2-thiophen-2-ylethenyl]phenyl]-1-methylhydrazine
PubChem CID144838680
Molecular FormulaC15H17FN2S
Molecular Weight276.38 g/mol
Exact Mass276.11
IUPAC Name1-[3-ethyl-6-fluoro-2-[(E)-2-thiophen-2-ylethenyl]phenyl]-1-methylhydrazine
SMILESCCc1ccc(F)c(N(C)N)c1/C=C/c1cccs1
InChIInChI=1S/C15H17FN2S/c1-3-11-6-9-14(16)15(18(2)17)13(11)8-7-12-5-4-10-19-12/h4-10H,3,17H2,1-2H3/b8-7+
InChIKeyDUZXYQBIMKTRCW-BQYQJAHWSA-N
XLogP3.93
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-6-fluoro-2-[(E)-2-thiophen-2-ylethenyl]phenyl]-1-methylhydrazine?
The IUPAC name of 1-[3-ethyl-6-fluoro-2-[(E)-2-thiophen-2-ylethenyl]phenyl]-1-methylhydrazine (CID 144838680) is 1-[3-ethyl-6-fluoro-2-[(E)-2-thiophen-2-ylethenyl]phenyl]-1-methylhydrazine.
What is the SMILES notation for 1-[3-ethyl-6-fluoro-2-[(E)-2-thiophen-2-ylethenyl]phenyl]-1-methylhydrazine?
The canonical SMILES for 1-[3-ethyl-6-fluoro-2-[(E)-2-thiophen-2-ylethenyl]phenyl]-1-methylhydrazine is CCc1ccc(F)c(N(C)N)c1/C=C/c1cccs1.
What is the InChIKey of 1-[3-ethyl-6-fluoro-2-[(E)-2-thiophen-2-ylethenyl]phenyl]-1-methylhydrazine?
The InChIKey is DUZXYQBIMKTRCW-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H17FN2S/c1-3-11-6-9-14(16)15(18(2)17)13(11)8-7-12-5-4-10-19-12/h4-10H,3,17H2,1-2H3/b8-7+.
What are the key properties of 1-[3-ethyl-6-fluoro-2-[(E)-2-thiophen-2-ylethenyl]phenyl]-1-methylhydrazine?
1-[3-ethyl-6-fluoro-2-[(E)-2-thiophen-2-ylethenyl]phenyl]-1-methylhydrazine has a molecular weight of 276.38 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-6-fluoro-2-[(E)-2-thiophen-2-ylethenyl]phenyl]-1-methylhydrazine is sourced from PubChem (CID 144838680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).