1-[3-(difluoromethyl)-2-[(E)-2-thiophen-2-ylethenyl]phenyl]-1-methylhydrazine

C14H14F2N2S — CID 144838458

IUPAC1-[3-(difluoromethyl)-2-[(E)-2-thiophen-2-ylethenyl]phenyl]-1-methylhydrazine
SMILESCN(N)c1cccc(C(F)F)c1/C=C/c1cccs1
InChIInChI=1S/C14H14F2N2S/c1-18(17)13-6-2-5-12(14(15)16)11(13)8-7-10-4-3-9-19-10/h2-9,14H,17H2,1H3/b8-7+
InChIKeyIHHZCICDHQGVQE-BQYQJAHWSA-N
MW280.34 g/mol
LogP4.17
Rot. Bonds4

About 1-[3-(difluoromethyl)-2-[(E)-2-thiophen-2-ylethenyl]phenyl]-1-methylhydrazine

1-[3-(difluoromethyl)-2-[(E)-2-thiophen-2-ylethenyl]phenyl]-1-methylhydrazine (PubChem CID 144838458) has the molecular formula C14H14F2N2S and a molecular weight of 280.34 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)-2-[(E)-2-thiophen-2-ylethenyl]phenyl]-1-methylhydrazine.

Molecular Properties

Compound Name1-[3-(difluoromethyl)-2-[(E)-2-thiophen-2-ylethenyl]phenyl]-1-methylhydrazine
PubChem CID144838458
Molecular FormulaC14H14F2N2S
Molecular Weight280.34 g/mol
Exact Mass280.08
IUPAC Name1-[3-(difluoromethyl)-2-[(E)-2-thiophen-2-ylethenyl]phenyl]-1-methylhydrazine
SMILESCN(N)c1cccc(C(F)F)c1/C=C/c1cccs1
InChIInChI=1S/C14H14F2N2S/c1-18(17)13-6-2-5-12(14(15)16)11(13)8-7-10-4-3-9-19-10/h2-9,14H,17H2,1H3/b8-7+
InChIKeyIHHZCICDHQGVQE-BQYQJAHWSA-N
XLogP4.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 54.17
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-(difluoromethyl)-2-[(E)-2-thiophen-2-ylethenyl]phenyl]-1-methylhydrazine?
The IUPAC name of 1-[3-(difluoromethyl)-2-[(E)-2-thiophen-2-ylethenyl]phenyl]-1-methylhydrazine (CID 144838458) is 1-[3-(difluoromethyl)-2-[(E)-2-thiophen-2-ylethenyl]phenyl]-1-methylhydrazine.
What is the SMILES notation for 1-[3-(difluoromethyl)-2-[(E)-2-thiophen-2-ylethenyl]phenyl]-1-methylhydrazine?
The canonical SMILES for 1-[3-(difluoromethyl)-2-[(E)-2-thiophen-2-ylethenyl]phenyl]-1-methylhydrazine is CN(N)c1cccc(C(F)F)c1/C=C/c1cccs1.
What is the InChIKey of 1-[3-(difluoromethyl)-2-[(E)-2-thiophen-2-ylethenyl]phenyl]-1-methylhydrazine?
The InChIKey is IHHZCICDHQGVQE-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H14F2N2S/c1-18(17)13-6-2-5-12(14(15)16)11(13)8-7-10-4-3-9-19-10/h2-9,14H,17H2,1H3/b8-7+.
What are the key properties of 1-[3-(difluoromethyl)-2-[(E)-2-thiophen-2-ylethenyl]phenyl]-1-methylhydrazine?
1-[3-(difluoromethyl)-2-[(E)-2-thiophen-2-ylethenyl]phenyl]-1-methylhydrazine has a molecular weight of 280.34 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethyl)-2-[(E)-2-thiophen-2-ylethenyl]phenyl]-1-methylhydrazine is sourced from PubChem (CID 144838458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).