[5-methyl-1-[3-(trifluoromethyl)phenyl]hexyl]hydrazine

C14H21F3N2 — CID 105193980

IUPAC[5-methyl-1-[3-(trifluoromethyl)phenyl]hexyl]hydrazine
SMILESCC(C)CCCC(NN)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H21F3N2/c1-10(2)5-3-8-13(19-18)11-6-4-7-12(9-11)14(15,16)17/h4,6-7,9-10,13,19H,3,5,8,18H2,1-2H3
InChIKeyHZROBCOCKUTDEK-UHFFFAOYSA-N
MW274.33 g/mol
LogP4.04
Rot. Bonds6

About [5-methyl-1-[3-(trifluoromethyl)phenyl]hexyl]hydrazine

[5-methyl-1-[3-(trifluoromethyl)phenyl]hexyl]hydrazine (PubChem CID 105193980) has the molecular formula C14H21F3N2 and a molecular weight of 274.33 g/mol. Its IUPAC name is [5-methyl-1-[3-(trifluoromethyl)phenyl]hexyl]hydrazine.

Molecular Properties

Compound Name[5-methyl-1-[3-(trifluoromethyl)phenyl]hexyl]hydrazine
PubChem CID105193980
Molecular FormulaC14H21F3N2
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC Name[5-methyl-1-[3-(trifluoromethyl)phenyl]hexyl]hydrazine
SMILESCC(C)CCCC(NN)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H21F3N2/c1-10(2)5-3-8-13(19-18)11-6-4-7-12(9-11)14(15,16)17/h4,6-7,9-10,13,19H,3,5,8,18H2,1-2H3
InChIKeyHZROBCOCKUTDEK-UHFFFAOYSA-N
XLogP4.04
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

1-[3-(trifluoromethyl)phenyl]nonylhydrazine
CID 105193857
[3-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]propyl]hydrazine
CID 105301345
[3-methoxy-3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]hydrazine
CID 103025278
N-methyl-1-[3-(trifluoromethyl)phenyl]nonan-1-amine
CID 63414431
N-(2-methylpropyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 65384986
1-fluoro-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 105495799
[2-propoxy-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105193830
[4-methyl-1-[3-(trifluoromethoxy)phenyl]pentyl]hydrazine
CID 105207651
[2-(4-iodophenyl)-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105193885
N-ethyl-2-(3-methylbutylsulfanyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 107764275
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
N'-methyl-N'-(2-methylpropyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 54938195

Frequently Asked Questions

What is the IUPAC name of [5-methyl-1-[3-(trifluoromethyl)phenyl]hexyl]hydrazine?
The IUPAC name of [5-methyl-1-[3-(trifluoromethyl)phenyl]hexyl]hydrazine (CID 105193980) is [5-methyl-1-[3-(trifluoromethyl)phenyl]hexyl]hydrazine.
What is the SMILES notation for [5-methyl-1-[3-(trifluoromethyl)phenyl]hexyl]hydrazine?
The canonical SMILES for [5-methyl-1-[3-(trifluoromethyl)phenyl]hexyl]hydrazine is CC(C)CCCC(NN)c1cccc(C(F)(F)F)c1.
What is the InChIKey of [5-methyl-1-[3-(trifluoromethyl)phenyl]hexyl]hydrazine?
The InChIKey is HZROBCOCKUTDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2/c1-10(2)5-3-8-13(19-18)11-6-4-7-12(9-11)14(15,16)17/h4,6-7,9-10,13,19H,3,5,8,18H2,1-2H3.
What are the key properties of [5-methyl-1-[3-(trifluoromethyl)phenyl]hexyl]hydrazine?
[5-methyl-1-[3-(trifluoromethyl)phenyl]hexyl]hydrazine has a molecular weight of 274.33 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-1-[3-(trifluoromethyl)phenyl]hexyl]hydrazine is sourced from PubChem (CID 105193980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).