1-methyl-1-[2-[(E)-2-thiophen-2-ylethenyl]-3-(trifluoromethyl)phenyl]hydrazine

C14H13F3N2S — CID 144838766

IUPAC1-methyl-1-[2-[(E)-2-thiophen-2-ylethenyl]-3-(trifluoromethyl)phenyl]hydrazine
SMILESCN(N)c1cccc(C(F)(F)F)c1/C=C/c1cccs1
InChIInChI=1S/C14H13F3N2S/c1-19(18)13-6-2-5-12(14(15,16)17)11(13)8-7-10-4-3-9-20-10/h2-9H,18H2,1H3/b8-7+
InChIKeyKRFFPNUFLIWXGA-BQYQJAHWSA-N
MW298.33 g/mol
LogP4.25
Rot. Bonds3

About 1-methyl-1-[2-[(E)-2-thiophen-2-ylethenyl]-3-(trifluoromethyl)phenyl]hydrazine

1-methyl-1-[2-[(E)-2-thiophen-2-ylethenyl]-3-(trifluoromethyl)phenyl]hydrazine (PubChem CID 144838766) has the molecular formula C14H13F3N2S and a molecular weight of 298.33 g/mol. Its IUPAC name is 1-methyl-1-[2-[(E)-2-thiophen-2-ylethenyl]-3-(trifluoromethyl)phenyl]hydrazine.

Molecular Properties

Compound Name1-methyl-1-[2-[(E)-2-thiophen-2-ylethenyl]-3-(trifluoromethyl)phenyl]hydrazine
PubChem CID144838766
Molecular FormulaC14H13F3N2S
Molecular Weight298.33 g/mol
Exact Mass298.08
IUPAC Name1-methyl-1-[2-[(E)-2-thiophen-2-ylethenyl]-3-(trifluoromethyl)phenyl]hydrazine
SMILESCN(N)c1cccc(C(F)(F)F)c1/C=C/c1cccs1
InChIInChI=1S/C14H13F3N2S/c1-19(18)13-6-2-5-12(14(15,16)17)11(13)8-7-10-4-3-9-20-10/h2-9H,18H2,1H3/b8-7+
InChIKeyKRFFPNUFLIWXGA-BQYQJAHWSA-N
XLogP4.25
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 54.25
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-methyl-1-[2-[(E)-2-thiophen-2-ylethenyl]-3-(trifluoromethyl)phenyl]hydrazine?
The IUPAC name of 1-methyl-1-[2-[(E)-2-thiophen-2-ylethenyl]-3-(trifluoromethyl)phenyl]hydrazine (CID 144838766) is 1-methyl-1-[2-[(E)-2-thiophen-2-ylethenyl]-3-(trifluoromethyl)phenyl]hydrazine.
What is the SMILES notation for 1-methyl-1-[2-[(E)-2-thiophen-2-ylethenyl]-3-(trifluoromethyl)phenyl]hydrazine?
The canonical SMILES for 1-methyl-1-[2-[(E)-2-thiophen-2-ylethenyl]-3-(trifluoromethyl)phenyl]hydrazine is CN(N)c1cccc(C(F)(F)F)c1/C=C/c1cccs1.
What is the InChIKey of 1-methyl-1-[2-[(E)-2-thiophen-2-ylethenyl]-3-(trifluoromethyl)phenyl]hydrazine?
The InChIKey is KRFFPNUFLIWXGA-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H13F3N2S/c1-19(18)13-6-2-5-12(14(15,16)17)11(13)8-7-10-4-3-9-20-10/h2-9H,18H2,1H3/b8-7+.
What are the key properties of 1-methyl-1-[2-[(E)-2-thiophen-2-ylethenyl]-3-(trifluoromethyl)phenyl]hydrazine?
1-methyl-1-[2-[(E)-2-thiophen-2-ylethenyl]-3-(trifluoromethyl)phenyl]hydrazine has a molecular weight of 298.33 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[2-[(E)-2-thiophen-2-ylethenyl]-3-(trifluoromethyl)phenyl]hydrazine is sourced from PubChem (CID 144838766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).