[5,5,5-trifluoro-1-(2-fluoro-4-methoxyphenyl)pentyl]hydrazine

C12H16F4N2O — CID 105256874

IUPAC[5,5,5-trifluoro-1-(2-fluoro-4-methoxyphenyl)pentyl]hydrazine
SMILESCOc1ccc(C(CCCC(F)(F)F)NN)c(F)c1
InChIInChI=1S/C12H16F4N2O/c1-19-8-4-5-9(10(13)7-8)11(18-17)3-2-6-12(14,15)16/h4-5,7,11,18H,2-3,6,17H2,1H3
InChIKeyJEDIGHZDUPSOFO-UHFFFAOYSA-N
MW280.27 g/mol
LogP3.07
Rot. Bonds6

About [5,5,5-trifluoro-1-(2-fluoro-4-methoxyphenyl)pentyl]hydrazine

[5,5,5-trifluoro-1-(2-fluoro-4-methoxyphenyl)pentyl]hydrazine (PubChem CID 105256874) has the molecular formula C12H16F4N2O and a molecular weight of 280.27 g/mol. Its IUPAC name is [5,5,5-trifluoro-1-(2-fluoro-4-methoxyphenyl)pentyl]hydrazine.

Molecular Properties

Compound Name[5,5,5-trifluoro-1-(2-fluoro-4-methoxyphenyl)pentyl]hydrazine
PubChem CID105256874
Molecular FormulaC12H16F4N2O
Molecular Weight280.27 g/mol
Exact Mass280.12
IUPAC Name[5,5,5-trifluoro-1-(2-fluoro-4-methoxyphenyl)pentyl]hydrazine
SMILESCOc1ccc(C(CCCC(F)(F)F)NN)c(F)c1
InChIInChI=1S/C12H16F4N2O/c1-19-8-4-5-9(10(13)7-8)11(18-17)3-2-6-12(14,15)16/h4-5,7,11,18H,2-3,6,17H2,1H3
InChIKeyJEDIGHZDUPSOFO-UHFFFAOYSA-N
XLogP3.07
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 53.07
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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Related Compounds

5,5,5-trifluoro-1-(2-fluoro-4-methoxyphenyl)-N-methylpentan-1-amine
CID 115517528
1-(2-fluoro-4-methoxyphenyl)heptylhydrazine
CID 105256947
[1-(2-fluoro-4-methoxyphenyl)-3-methoxypropyl]hydrazine
CID 103397541
[1-(2-fluoro-4-methoxyphenyl)-3-methylsulfanylpropyl]hydrazine
CID 103397758
[1-(2-fluoro-4-methoxyphenyl)-3-(2-methoxyethoxy)propyl]hydrazine
CID 103397694
[1-(2-fluoro-4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine
CID 103397813
[1-(2,4-difluoro-5-methylphenyl)-5,5,5-trifluoropentyl]hydrazine
CID 105329005
1-(2-fluoro-4-methoxyphenyl)but-3-enylhydrazine
CID 105256934
[2-ethoxy-1-(2-fluoro-4-methoxyphenyl)ethyl]hydrazine
CID 105256872
[1-(2-fluoro-4-methoxyphenyl)-3-methylhexyl]hydrazine
CID 105256894
3,3,3-trifluoro-1-(2-fluoro-4-methoxyphenyl)-N-methylpropan-1-amine
CID 43561384
1-(2-fluoro-4-methoxyphenyl)-N,5-dimethylhexan-1-amine
CID 83162028

Frequently Asked Questions

What is the IUPAC name of [5,5,5-trifluoro-1-(2-fluoro-4-methoxyphenyl)pentyl]hydrazine?
The IUPAC name of [5,5,5-trifluoro-1-(2-fluoro-4-methoxyphenyl)pentyl]hydrazine (CID 105256874) is [5,5,5-trifluoro-1-(2-fluoro-4-methoxyphenyl)pentyl]hydrazine.
What is the SMILES notation for [5,5,5-trifluoro-1-(2-fluoro-4-methoxyphenyl)pentyl]hydrazine?
The canonical SMILES for [5,5,5-trifluoro-1-(2-fluoro-4-methoxyphenyl)pentyl]hydrazine is COc1ccc(C(CCCC(F)(F)F)NN)c(F)c1.
What is the InChIKey of [5,5,5-trifluoro-1-(2-fluoro-4-methoxyphenyl)pentyl]hydrazine?
The InChIKey is JEDIGHZDUPSOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F4N2O/c1-19-8-4-5-9(10(13)7-8)11(18-17)3-2-6-12(14,15)16/h4-5,7,11,18H,2-3,6,17H2,1H3.
What are the key properties of [5,5,5-trifluoro-1-(2-fluoro-4-methoxyphenyl)pentyl]hydrazine?
[5,5,5-trifluoro-1-(2-fluoro-4-methoxyphenyl)pentyl]hydrazine has a molecular weight of 280.27 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5,5,5-trifluoro-1-(2-fluoro-4-methoxyphenyl)pentyl]hydrazine is sourced from PubChem (CID 105256874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).