[4-methoxy-4-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine

C14H21F3N2O — CID 103025229

IUPAC[4-methoxy-4-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine
SMILESCOC(C)(C)CC(Cc1cccc(C(F)(F)F)c1)NN
InChIInChI=1S/C14H21F3N2O/c1-13(2,20-3)9-12(19-18)8-10-5-4-6-11(7-10)14(15,16)17/h4-7,12,19H,8-9,18H2,1-3H3
InChIKeyWNPNTQJRNKKWJW-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.89
Rot. Bonds6

About [4-methoxy-4-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine

[4-methoxy-4-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine (PubChem CID 103025229) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is [4-methoxy-4-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine.

Molecular Properties

Compound Name[4-methoxy-4-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine
PubChem CID103025229
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC Name[4-methoxy-4-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine
SMILESCOC(C)(C)CC(Cc1cccc(C(F)(F)F)c1)NN
InChIInChI=1S/C14H21F3N2O/c1-13(2,20-3)9-12(19-18)8-10-5-4-6-11(7-10)14(15,16)17/h4-7,12,19H,8-9,18H2,1-3H3
InChIKeyWNPNTQJRNKKWJW-UHFFFAOYSA-N
XLogP2.89
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.89
H-Bond Donors ≤ 52
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 [4-methoxy-4-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine?
The IUPAC name of [4-methoxy-4-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine (CID 103025229) is [4-methoxy-4-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine.
What is the SMILES notation for [4-methoxy-4-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine?
The canonical SMILES for [4-methoxy-4-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine is COC(C)(C)CC(Cc1cccc(C(F)(F)F)c1)NN.
What is the InChIKey of [4-methoxy-4-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine?
The InChIKey is WNPNTQJRNKKWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O/c1-13(2,20-3)9-12(19-18)8-10-5-4-6-11(7-10)14(15,16)17/h4-7,12,19H,8-9,18H2,1-3H3.
What are the key properties of [4-methoxy-4-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine?
[4-methoxy-4-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine has a molecular weight of 290.33 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-4-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine is sourced from PubChem (CID 103025229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).