1-[(E)-but-2-en-2-yl]-1-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-2-methylhydrazine

C13H16ClF3N2 — CID 131992950

IUPAC1-[(E)-but-2-en-2-yl]-1-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-2-methylhydrazine
SMILESC/C=C(\C)N(Cc1c(Cl)cccc1C(F)(F)F)NC
InChIInChI=1S/C13H16ClF3N2/c1-4-9(2)19(18-3)8-10-11(13(15,16)17)6-5-7-12(10)14/h4-7,18H,8H2,1-3H3/b9-4+
InChIKeyQPFUQGHWYYDKQA-RUDMXATFSA-N
MW292.73 g/mol
LogP4.22
Rot. Bonds4

About 1-[(E)-but-2-en-2-yl]-1-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-2-methylhydrazine

1-[(E)-but-2-en-2-yl]-1-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-2-methylhydrazine (PubChem CID 131992950) has the molecular formula C13H16ClF3N2 and a molecular weight of 292.73 g/mol. Its IUPAC name is 1-[(E)-but-2-en-2-yl]-1-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-2-methylhydrazine.

Molecular Properties

Compound Name1-[(E)-but-2-en-2-yl]-1-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-2-methylhydrazine
PubChem CID131992950
Molecular FormulaC13H16ClF3N2
Molecular Weight292.73 g/mol
Exact Mass292.10
IUPAC Name1-[(E)-but-2-en-2-yl]-1-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-2-methylhydrazine
SMILESC/C=C(\C)N(Cc1c(Cl)cccc1C(F)(F)F)NC
InChIInChI=1S/C13H16ClF3N2/c1-4-9(2)19(18-3)8-10-11(13(15,16)17)6-5-7-12(10)14/h4-7,18H,8H2,1-3H3/b9-4+
InChIKeyQPFUQGHWYYDKQA-RUDMXATFSA-N
XLogP4.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-en-2-yl]-1-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-2-methylhydrazine?
The IUPAC name of 1-[(E)-but-2-en-2-yl]-1-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-2-methylhydrazine (CID 131992950) is 1-[(E)-but-2-en-2-yl]-1-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-2-methylhydrazine.
What is the SMILES notation for 1-[(E)-but-2-en-2-yl]-1-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-2-methylhydrazine?
The canonical SMILES for 1-[(E)-but-2-en-2-yl]-1-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-2-methylhydrazine is C/C=C(\C)N(Cc1c(Cl)cccc1C(F)(F)F)NC.
What is the InChIKey of 1-[(E)-but-2-en-2-yl]-1-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-2-methylhydrazine?
The InChIKey is QPFUQGHWYYDKQA-RUDMXATFSA-N. The full InChI is InChI=1S/C13H16ClF3N2/c1-4-9(2)19(18-3)8-10-11(13(15,16)17)6-5-7-12(10)14/h4-7,18H,8H2,1-3H3/b9-4+.
What are the key properties of 1-[(E)-but-2-en-2-yl]-1-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-2-methylhydrazine?
1-[(E)-but-2-en-2-yl]-1-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-2-methylhydrazine has a molecular weight of 292.73 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-en-2-yl]-1-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-2-methylhydrazine is sourced from PubChem (CID 131992950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).