1-[3-cyclopropyl-2-[(E)-2-(5-fluorothiophen-2-yl)ethenyl]phenyl]-1-methylhydrazine

C16H17FN2S — CID 144838823

IUPAC1-[3-cyclopropyl-2-[(E)-2-(5-fluorothiophen-2-yl)ethenyl]phenyl]-1-methylhydrazine
SMILESCN(N)c1cccc(C2CC2)c1/C=C/c1ccc(F)s1
InChIInChI=1S/C16H17FN2S/c1-19(18)15-4-2-3-13(11-5-6-11)14(15)9-7-12-8-10-16(17)20-12/h2-4,7-11H,5-6,18H2,1H3/b9-7+
InChIKeyUQLOKJVYVGJMFI-VQHVLOKHSA-N
MW288.39 g/mol
LogP4.24
Rot. Bonds4

About 1-[3-cyclopropyl-2-[(E)-2-(5-fluorothiophen-2-yl)ethenyl]phenyl]-1-methylhydrazine

1-[3-cyclopropyl-2-[(E)-2-(5-fluorothiophen-2-yl)ethenyl]phenyl]-1-methylhydrazine (PubChem CID 144838823) has the molecular formula C16H17FN2S and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[3-cyclopropyl-2-[(E)-2-(5-fluorothiophen-2-yl)ethenyl]phenyl]-1-methylhydrazine.

Molecular Properties

Compound Name1-[3-cyclopropyl-2-[(E)-2-(5-fluorothiophen-2-yl)ethenyl]phenyl]-1-methylhydrazine
PubChem CID144838823
Molecular FormulaC16H17FN2S
Molecular Weight288.39 g/mol
Exact Mass288.11
IUPAC Name1-[3-cyclopropyl-2-[(E)-2-(5-fluorothiophen-2-yl)ethenyl]phenyl]-1-methylhydrazine
SMILESCN(N)c1cccc(C2CC2)c1/C=C/c1ccc(F)s1
InChIInChI=1S/C16H17FN2S/c1-19(18)15-4-2-3-13(11-5-6-11)14(15)9-7-12-8-10-16(17)20-12/h2-4,7-11H,5-6,18H2,1H3/b9-7+
InChIKeyUQLOKJVYVGJMFI-VQHVLOKHSA-N
XLogP4.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.24
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-cyclopropyl-2-[(E)-2-(5-fluorothiophen-2-yl)ethenyl]phenyl]-1-methylhydrazine?
The IUPAC name of 1-[3-cyclopropyl-2-[(E)-2-(5-fluorothiophen-2-yl)ethenyl]phenyl]-1-methylhydrazine (CID 144838823) is 1-[3-cyclopropyl-2-[(E)-2-(5-fluorothiophen-2-yl)ethenyl]phenyl]-1-methylhydrazine.
What is the SMILES notation for 1-[3-cyclopropyl-2-[(E)-2-(5-fluorothiophen-2-yl)ethenyl]phenyl]-1-methylhydrazine?
The canonical SMILES for 1-[3-cyclopropyl-2-[(E)-2-(5-fluorothiophen-2-yl)ethenyl]phenyl]-1-methylhydrazine is CN(N)c1cccc(C2CC2)c1/C=C/c1ccc(F)s1.
What is the InChIKey of 1-[3-cyclopropyl-2-[(E)-2-(5-fluorothiophen-2-yl)ethenyl]phenyl]-1-methylhydrazine?
The InChIKey is UQLOKJVYVGJMFI-VQHVLOKHSA-N. The full InChI is InChI=1S/C16H17FN2S/c1-19(18)15-4-2-3-13(11-5-6-11)14(15)9-7-12-8-10-16(17)20-12/h2-4,7-11H,5-6,18H2,1H3/b9-7+.
What are the key properties of 1-[3-cyclopropyl-2-[(E)-2-(5-fluorothiophen-2-yl)ethenyl]phenyl]-1-methylhydrazine?
1-[3-cyclopropyl-2-[(E)-2-(5-fluorothiophen-2-yl)ethenyl]phenyl]-1-methylhydrazine has a molecular weight of 288.39 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-cyclopropyl-2-[(E)-2-(5-fluorothiophen-2-yl)ethenyl]phenyl]-1-methylhydrazine is sourced from PubChem (CID 144838823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).