[4,4,4-trifluoro-1-(3,4,5-trimethoxyphenyl)butyl]hydrazine

C13H19F3N2O3 — CID 105313821

IUPAC[4,4,4-trifluoro-1-(3,4,5-trimethoxyphenyl)butyl]hydrazine
SMILESCOc1cc(C(CCC(F)(F)F)NN)cc(OC)c1OC
InChIInChI=1S/C13H19F3N2O3/c1-19-10-6-8(7-11(20-2)12(10)21-3)9(18-17)4-5-13(14,15)16/h6-7,9,18H,4-5,17H2,1-3H3
InChIKeyCOTHSULTSSJPDP-UHFFFAOYSA-N
MW308.30 g/mol
LogP2.56
Rot. Bonds7

About [4,4,4-trifluoro-1-(3,4,5-trimethoxyphenyl)butyl]hydrazine

[4,4,4-trifluoro-1-(3,4,5-trimethoxyphenyl)butyl]hydrazine (PubChem CID 105313821) has the molecular formula C13H19F3N2O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is [4,4,4-trifluoro-1-(3,4,5-trimethoxyphenyl)butyl]hydrazine.

Molecular Properties

Compound Name[4,4,4-trifluoro-1-(3,4,5-trimethoxyphenyl)butyl]hydrazine
PubChem CID105313821
Molecular FormulaC13H19F3N2O3
Molecular Weight308.30 g/mol
Exact Mass308.13
IUPAC Name[4,4,4-trifluoro-1-(3,4,5-trimethoxyphenyl)butyl]hydrazine
SMILESCOc1cc(C(CCC(F)(F)F)NN)cc(OC)c1OC
InChIInChI=1S/C13H19F3N2O3/c1-19-10-6-8(7-11(20-2)12(10)21-3)9(18-17)4-5-13(14,15)16/h6-7,9,18H,4-5,17H2,1-3H3
InChIKeyCOTHSULTSSJPDP-UHFFFAOYSA-N
XLogP2.56
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[5-methyl-1-(3,4,5-trimethoxyphenyl)hexyl]hydrazine
CID 105331209
[3-ethyl-1-(3,4,5-trimethoxyphenyl)pentyl]hydrazine
CID 105330965
[4,4,4-trifluoro-1-(3-fluoro-5-methylphenyl)butyl]hydrazine
CID 105249105
1-(3-chloro-4,5-dimethoxyphenyl)hexylhydrazine
CID 105204626
[4,4,4-trifluoro-1-(4-propan-2-ylphenyl)butyl]hydrazine
CID 105193990
(1S)-2,2,2-trifluoro-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 66512237
[3-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)propyl]hydrazine
CID 105315091
[1-(4-fluoro-3-methoxyphenyl)-4-methylpent-4-enyl]hydrazine
CID 105335863
N,N'-dimethyl-1-(3,4,5-trimethoxyphenyl)propane-1,3-diamine
CID 116948624
1-(4-fluoro-3-methoxyphenyl)pentylhydrazine
CID 105293751
[1-(4-ethoxyphenyl)-4,4,4-trifluorobutyl]hydrazine
CID 105248935
[1-(3-chloro-4-methylphenyl)-4,4,4-trifluorobutyl]hydrazine
CID 105313900

Frequently Asked Questions

What is the IUPAC name of [4,4,4-trifluoro-1-(3,4,5-trimethoxyphenyl)butyl]hydrazine?
The IUPAC name of [4,4,4-trifluoro-1-(3,4,5-trimethoxyphenyl)butyl]hydrazine (CID 105313821) is [4,4,4-trifluoro-1-(3,4,5-trimethoxyphenyl)butyl]hydrazine.
What is the SMILES notation for [4,4,4-trifluoro-1-(3,4,5-trimethoxyphenyl)butyl]hydrazine?
The canonical SMILES for [4,4,4-trifluoro-1-(3,4,5-trimethoxyphenyl)butyl]hydrazine is COc1cc(C(CCC(F)(F)F)NN)cc(OC)c1OC.
What is the InChIKey of [4,4,4-trifluoro-1-(3,4,5-trimethoxyphenyl)butyl]hydrazine?
The InChIKey is COTHSULTSSJPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O3/c1-19-10-6-8(7-11(20-2)12(10)21-3)9(18-17)4-5-13(14,15)16/h6-7,9,18H,4-5,17H2,1-3H3.
What are the key properties of [4,4,4-trifluoro-1-(3,4,5-trimethoxyphenyl)butyl]hydrazine?
[4,4,4-trifluoro-1-(3,4,5-trimethoxyphenyl)butyl]hydrazine has a molecular weight of 308.30 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4,4-trifluoro-1-(3,4,5-trimethoxyphenyl)butyl]hydrazine is sourced from PubChem (CID 105313821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).